SCHEMBL8285887

SCHEMBL8285887

CNC(C)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ HTR2A P28223 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ ACHE P22303 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KCNH2 Q12809 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ GRIA4 P48058 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTR1A P08908 2/20 0.34

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
SCHEMBL178538 1.00 ALDH1A1 (0.52) ALDH1A1HTR2ASLC6A4SMN1; SMN2CHRNA7
SCHEMBL8284259 1.00 ALDH1A1 (0.52) ALDH1A1HTR2ASLC6A4SMN1; SMN2CHRNA7
SCHEMBL2669165 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19286213 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CHRNA7ACHETDP1
SCHEMBL28276361 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CHRNA7ACHETDP1
SCHEMBL2668985 0.78 CYP1A2 (0.52) ALDH1A1HTR2ASLC6A4TDP1KCNH2
SCHEMBL14305054 0.77 SMN1; SMN2 (0.41) SMN1; SMN2CHRNA7ACHETDP1MEN1
SCHEMBL8284221 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL6114224 0.77 SMN1; SMN2 (0.41) ALDH1A1HTR2ASLC6A4SMN1; SMN2CHRNA7
SCHEMBL2669157 0.77 ADRB2 (0.52) ALDH1A1HTR2ASLC6A4SMN1; SMN2TDP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 — — US disclosed
WO-2021055326-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — WO disclosed
CN-107709309-B Process for producing fluorine-containing cyclopropanecarboxylic acid 中央硝子株式会社 2020-10-09 — — CN disclosed
WO-2019241787-A9 NOVEL CYCLIC GMP-AMP SYNTHASE (CGAS) INHIBITORS AND THEIR METHOD OF USE THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-02-06 — — WO disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 — — US disclosed
EP-2986604-B1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 — — US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 — — US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 — — US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 — — US disclosed
US-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 — — US disclosed
US-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 — — US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 — — US disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 — — WO disclosed
US-4435396-A FROM 2-AMINO-5-ACETYLOXAZOLE PFIZER INC. (US) 1984-03-06 — — US 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 (5 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885HTR2A 1881/4885SLC6A4 762/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1999/4885HTR2A 2711/4885SLC6A4 2720/4885
US-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 ALDH1A1 2015/4885HTR2A 3213/4885SLC6A4 1616/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ALDH1A1 1120/4885HTR2A 2362/4885SLC6A4 772/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE ALDH1A1 174/4885HTR2A 4512/4885SLC6A4 4461/4885

“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.

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