SCHEMBL6514775

SCHEMBL6514775

CCc1ccccc1N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
GAA P10253 1/20 0.53
NCF1 P14598 1/20 0.53
MAPK1 P28482 1/20 0.52
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
DRD3 P35462 2/20 0.50
NPC1 O15118 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
ALOX5 P09917 1/20 0.49
MGLL Q99685 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
KMT2A Q03164 1/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL7896018 0.98 KEAP1 (0.52) KEAP1GAANCF1MAPK1HTR1A
Hydrochloric Acid SCHEMBL29156848 0.98 KEAP1 (0.52) KEAP1GAANCF1MAPK1HTR1A
SCHEMBL8776692 0.98 NCF1 (0.54) KEAP1GAANCF1MAPK1HTR1A
Methylamine SCHEMBL6478870 0.94 NCF1 (0.56) KEAP1GAANCF1MAPK1HTR1A
Nitrogen SCHEMBL4600854 0.94 NCF1 (0.51) KEAP1GAANCF1MAPK1HTR1A
Hydrochloric Acid SCHEMBL28740234 0.90 NCF1 (0.56) KEAP1GAANCF1MAPK1HTR1A
SCHEMBL10424519 0.89 HTR1A (0.59) NCF1HTR1ADRD2DRD4HTR2A
SCHEMBL28845229 0.85 HTR1A (0.49) KEAP1GAANCF1MAPK1HTR1A
SCHEMBL21593838 0.84 NCF1 (0.50) KEAP1GAANCF1MAPK1HTR1A
SCHEMBL28085385 0.83 NPC1 (0.47) KEAP1GAANCF1NPC1FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed
WO-2018060949-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR USE IN THE TREATMENT OF LIVER DISEASES ROIVANT SCIENCES GMBH (CH) 2018-04-05 WO disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
CN-100458472-C Light reflective sheet, method for producing same, and molded article produced therefrom IDEMITSU PETROCHEMICAL CO (JP) 2009-02-04 CN disclosed
CN-100441409-C Light-reflecting polycarbonate resin sheet and light-reflecting laminate using the same IDEMITSU KOSAN CO (JP) 2008-12-10 CN disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP disclosed
CN-1860027-A Light-reflecting polycarbonate resin sheet and light-reflecting laminate using the same IDEMITSU KOSAN CO (JP) 2006-11-08 CN disclosed
CN-1853118-A Light reflective sheet, method for producing same, and molded article produced therefrom IDEMITSU KOSAN CO (JP) 2006-10-25 CN disclosed
WO-2005077885-A1 RUTHENIUM-CATALYZED HYDROAMINATION OF OLEFINS YALE UNIVERSITY (US) 2005-08-25 WO disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO 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 (2 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-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 KEAP1 3614/4885GAA 4756/4885NCF1 3046/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 KEAP1 2977/4885GAA 4741/4885NCF1 308/4885

“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.