SCHEMBL7820935

SCHEMBL7820935

Cc1ccc2c(c1)CCNC2C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.56
DRD2 P14416 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD3 P35462 1/20 0.56
HIF1A Q16665 1/20 0.56
DRD4 P21917 1/20 0.56
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM1A O60341 1/20 0.47
PRCP P42785 1/20 0.44
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42

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
SCHEMBL1011743 0.85 MAOA (0.56) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL19512604 0.85 MAOA (0.56) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL13460942 0.81 CHRNB2 (0.39) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL18664431 0.81 CHRNB2 (0.39) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL16057669 0.80 KDM1A (0.50) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL21959060 0.80 MAOA (0.64) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL6159366 0.80 HTR2A (0.61) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL22680299 0.80 MAOA (0.54) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL22680298 0.80 MAOA (0.54) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL626535 0.80 MAOA (0.54) MAOADRD2TSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020210380-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
WO-2020210375-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
WO-2011124093-A1 BICYCLIC QUINOLONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-10-13 WO disclosed
EP-0677049-B1 QUINAZOLINE DERIVATIVES YUHAN CORP LTD (KR) 2001-07-25 EP disclosed
US-5686458-A Quinazoline deriviates for treating peptic ulcer YUHAN CORPORATION (KR) 1997-11-11 US disclosed
EP-0677049-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1995-10-18 EP disclosed
WO-1994014795-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION (KR) 1994-07-07 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MAOA 2268/4885DRD2 2643/4885TSHR 449/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MAOA 2268/4885DRD2 2643/4885TSHR 449/4885

“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.