SCHEMBL1101901

SCHEMBL1101901

CC(C)C1=Nc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TRPA1 O75762 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
HPGD P15428 1/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16383317 0.84 HRH4 (0.38) HRH4NOS3NOS1NOS2NPC1
SCHEMBL13816110 0.82 NOS3 (0.52) HRH4NOS3NOS1NOS2NPC1
SCHEMBL35018 0.81 HRH4 (0.36) HRH4NOS3NOS1NOS2NPC1
SCHEMBL16186888 0.80 MAPT (0.44) RAB9AALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL16383318 0.79 NOS3 (0.39) HRH4NOS3NOS1NOS2NPC1
SCHEMBL24611380 0.77 CTSD (0.41) NPC1RAB9AALDH1A1MAPTPKM
SCHEMBL2756155 0.75 NPSR1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2TRPA1
SCHEMBL22087220 0.75 RAB9A (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL13160611 0.75 KDM4E (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL14440660 0.75

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230365570-A1 COMPOUNDS WITH GLUCOCORTICOID SPARING EFFECTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
US-20230286982-A1 PROTEASOME ENHANCERS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-09-14 US disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-11725003-B2 Amine derivative and an organic electroluminescent device thereof CHANGCHUN HYPERIONS TECHNOLOGY CO., LTD (CN) 2023-08-15 US disclosed
US-7511039-B2 β-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INC. (US) 2009-03-31 US disclosed
US-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US disclosed
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist SCHERING CORPORATION 2007-07-12 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins MYRIAD GENETICS, INCORPORATED (US) 2006-12-07 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
EP-0540956-A1 Process for the manufacture of substituted maleimides F. HOFFMANN-LA ROCHE AG (CH) 1993-05-12 EP disclosed
EP-0382618-A2 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them SANOFI (FR) 1990-08-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230286982-A1 PROTEASOME ENHANCERS AND USES THEREOF PSME3, PSME1, PSME4 HRH4 3061/4885NOS3 3724/4885NOS1 3368/4885
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 HRH4 1156/4885NOS3 2866/4885NOS1 3050/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R HRH4 5/4885NOS3 1921/4885NOS1 2677/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 HRH4 4847/4885NOS3 2981/4885NOS1 3527/4885
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB HRH4 1023/4885NOS3 243/4885NOS1 439/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 HRH4 2171/4885NOS3 3461/4885NOS1 3625/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 HRH4 1939/4885NOS3 2896/4885NOS1 3773/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 HRH4 1716/4885NOS3 4477/4885NOS1 4432/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB HRH4 665/4885NOS3 1606/4885NOS1 1259/4885
US-20070099944-A1 Chemical compounds ROCK1, ROCK2, CIT HRH4 1449/4885NOS3 399/4885NOS1 212/4885
US-11725003-B2 Amine derivative and an organic electroluminescent device thereof AOC1, AOX1, AOC2 HRH4 2623/4885NOS3 1262/4885NOS1 1187/4885
US-20060276408-A1 Beta-sheet mimetics and use thereof as inhibitors of biologically active peptides or proteins SERPINB1, SERPINE1, SERPINA2 HRH4 4499/4885NOS3 3460/4885NOS1 2914/4885
US-20230365570-A1 COMPOUNDS WITH GLUCOCORTICOID SPARING EFFECTS AND USES THEREOF NR3C1, NR3C2, NR5A1 HRH4 508/4885NOS3 524/4885NOS1 641/4885
US-20070161578-A1 Treatment of nonalcoholic fatty liver disease using cholesterol lowering agents and/or H3 receptor antagonist/inverse agonist NR1H4, NR1H3, NR1H2 HRH4 13/4885NOS3 2094/4885NOS1 3302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.