SCHEMBL6002172

SCHEMBL6002172

CN1CCN(C2CCCc3ccc(F)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
MTNR1B P49286 2/20 0.47
RAD52 P43351 1/20 0.46
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 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
SCHEMBL6405877 0.89 DRD2 (0.44) OPRM1OPRD1OPRK1OPRL1MTNR1B
SCHEMBL6002146 0.88 HTR1A (0.45) RAD52HTR1AHTR2CDRD3
SCHEMBL7684611 0.85 HTR1A (0.43) RAD52HTR1AHTR2CDRD3
SCHEMBL6001682 0.84 RAD52 (0.43) RAD52HTR1AHTR2CDRD3
SCHEMBL6001636 0.82 DRD2 (0.52) OPRM1OPRD1OPRK1OPRL1MTNR1B
SCHEMBL6406991 0.82 MTNR1B (0.47) MTNR1BRAD52HTR1ACNR1CNR2
SCHEMBL6405341 0.82 MTNR1B (0.50) MTNR1BHTR1ADRD3
SCHEMBL6403192 0.80 QDPR (0.47) MTNR1BDRD3CNR1CNR2
SCHEMBL6001623 0.80 MTNR1B (0.70) MTNR1B
SCHEMBL6001626 0.80 MTNR1B (0.47) OPRM1OPRK1OPRL1MTNR1BHTR2C

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 OPRM1 111/4885OPRD1 489/4885OPRK1 616/4885

“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.