SCHEMBL6000182

SCHEMBL6000182

CN1CCN(C2CCCc3ccc(CS)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.45
DRD2 P14416 4/20 0.41
CHRNA7 P36544 1/20 0.39
HTR2C P28335 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH1 P35367 2/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL6001626 0.88 MTNR1B (0.47) MTNR1BDRD2CHRNA7HTR2CCNR1
SCHEMBL6405341 0.79 MTNR1B (0.50) MTNR1BDRD2
SCHEMBL6001636 0.79 DRD2 (0.52) MTNR1BDRD2HTR2CMEN1KMT2A
SCHEMBL6002172 0.79 OPRM1 (0.51) MTNR1BHTR2CCNR1CNR2
SCHEMBL6406991 0.79 MTNR1B (0.47) MTNR1BDRD2CHRNA7CNR1CNR2
SCHEMBL6404018 0.78 DRD2 (0.48) MTNR1BDRD2CHRNA7HTR2C
SCHEMBL6001623 0.77 MTNR1B (0.70) MTNR1BMTNR1A
SCHEMBL6403192 0.77 QDPR (0.47) MTNR1BCHRNA7CNR1CNR2
SCHEMBL6409744 0.76 DRD2 (0.57) MTNR1BDRD2CHRNA7HTR2C
SCHEMBL6404494 0.76 DRD2 (0.57) MTNR1BDRD2CHRNA7HTR2C

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 MTNR1B 1920/4885DRD2 1222/4885CHRNA7 1146/4885

“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.