SCHEMBL6001636

SCHEMBL6001636

CN1CCN(C2CCCc3ccc(Cl)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
HRH1 P35367 3/20 0.52
HTR2C P28335 3/20 0.52
DRD4 P21917 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
NPC1 O15118 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51

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
SCHEMBL6384586 0.91 DRD2 (0.51) DRD2HRH1HTR2CDRD4KCNK9
SCHEMBL6001612 0.88 DRD2 (0.49) DRD2HRH1HTR2CDRD4KCNK9
SCHEMBL6407645 0.85 MTNR1B (0.43) DRD2HRH1HTR2CDRD4KCNK9
SCHEMBL6405122 0.83 MTNR1B (0.44) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6406991 0.82 MTNR1B (0.47) DRD2MTNR1BMAPTRAD52
SCHEMBL6002172 0.82 OPRM1 (0.51) HTR2COPRM1OPRD1OPRK1OPRL1
SCHEMBL6405341 0.82 MTNR1B (0.50) DRD2DRD4CYP2D6TSHRMTNR1B
SCHEMBL6403192 0.80 QDPR (0.47) MTNR1BDRD3
SCHEMBL6001623 0.80 MTNR1B (0.70) MTNR1B
SCHEMBL6001626 0.80 MTNR1B (0.47) DRD2HTR2CCYP2D6OPRM1OPRK1

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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 DRD2 1222/4885HRH1 60/4885HTR2C 792/4885

“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.