SCHEMBL4690341

SCHEMBL4690341

N#Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1OCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
ACHE P22303 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
HSD17B10 Q99714 1/20 0.44
SLC2A2 P11168 3/20 0.44
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 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
SCHEMBL5520596 0.90 HRH3 (0.54) SIGMAR1ACHEHRH3
SCHEMBL14545560 0.83 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ATSHRALDH1A1
SCHEMBL14545311 0.79 CNR1 (0.40) ALDH1A1LMNAHRH3HSD17B10CNR1
SCHEMBL4695659 0.79 USP8 (0.40) ALDH1A1LMNAHRH3CNR1CNR2
SCHEMBL4696246 0.78 SGK1 (0.48) MEN1KMT2AALDH1A1HRH3KDM4E
SCHEMBL4694032 0.77 CHRM1 (0.38) TSHRALDH1A1HRH3CNR1CNR2
SCHEMBL4747833 0.76 USP8 (0.57) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL5521872 0.73 USP8 (0.43) ALDH1A1LMNAHSD17B10CNR1CNR2
SCHEMBL5530945 0.72 ALDH1A1 (0.53) TSHRALDH1A1LMNAHSD17B10CNR1
SCHEMBL5723357 0.71 MKNK1 (0.48) SIGMAR1TSHRALDH1A1HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 EP 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
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 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 (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 SIGMAR1 150/4885MEN1 3621/4885KMT2A 1771/4885

“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.