SCHEMBL4043644

SCHEMBL4043644

CC1NCCc2c[c]ccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.46
DRD2 P14416 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD3 P35462 1/20 0.46
HIF1A Q16665 1/20 0.46
DRD4 P21917 1/20 0.46
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PRCP P42785 4/20 0.35
GAA P10253 1/20 0.32

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
SCHEMBL3202689 0.86 MAOA (0.46) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL578463 0.81 DRD2 (0.30) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL1952904 0.78 PRCP (0.45) KDM4EALDH1A1PRCPGAA
SCHEMBL21591619 0.75 PRCP (0.42) DRD2DRD4PRCPGAA
SCHEMBL1011611 0.73 PRCP (0.61) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL31069871 0.73 PRCP (0.61) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL29658057 0.73 PRCP (0.61) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL327738 0.73 PRCP (0.61) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL1010378 0.73 PRCP (0.61) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL29658050 0.73 PRCP (0.61) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP claimed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP claimed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 MAOA 4188/4885DRD2 4533/4885TSHR 3592/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MAOA 3468/4885DRD2 2687/4885TSHR 360/4885

“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.