SCHEMBL5530945

SCHEMBL5530945

N#Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1OCC1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HPGD P15428 7/20 0.42
GAA P10253 5/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 3/20 0.42
NLRP3 Q96P20 2/20 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
SCHEMBL14544960 0.89 MAPK14 (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL5366062 0.74 CNR1 (0.71) CNR1CNR2
SCHEMBL2702362 0.74 CNR2 (0.52) ALDH1A1RAB9APOLBNPSR1CNR1
SCHEMBL2703860 0.74 CNR2 (0.52) ALDH1A1RAB9APOLBNPSR1CNR1
SCHEMBL2702366 0.74 CNR2 (0.52) ALDH1A1RAB9APOLBNPSR1CNR1
SCHEMBL5520536 0.72 CNR1 (0.60) ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1
SCHEMBL5520596 0.72 HRH3 (0.54) CYP2D6
SCHEMBL4690341 0.72 SIGMAR1 (0.47) ALDH1A1KDM4ERAB9ACNR1CNR2
SCHEMBL4747833 0.72 USP8 (0.57) ALDH1A1KDM4ESMN1; SMN2RAB9ACNR1
SCHEMBL24379591 0.72 NLRP3 (0.66) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 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 (1 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 ALDH1A1 1492/4885KDM4E 1408/4885SMN1; SMN2 3464/4885

“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.