SCHEMBL6001623

SCHEMBL6001623

COc1ccc2c(c1)C(N1CCN(C)CC1)CCC2

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.70
MTNR1A P48039 5/20 0.59
SIGMAR1 Q99720 4/20 0.53

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
SCHEMBL7677474 0.88 MTNR1B (0.57) MTNR1BMTNR1ASIGMAR1
SCHEMBL5871250 0.86 MTNR1B (0.64) MTNR1BMTNR1ASIGMAR1
SCHEMBL6405872 0.86 MTNR1B (0.55) MTNR1BMTNR1ASIGMAR1
SCHEMBL5871858 0.85 MTNR1B (0.86) MTNR1BMTNR1ASIGMAR1
SCHEMBL6531816 0.83 MTNR1B (0.55) MTNR1BMTNR1ASIGMAR1
SCHEMBL8649814 0.83 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8655497 0.82 MTNR1B (0.79) MTNR1BMTNR1A
SCHEMBL6001733 0.81 MTNR1B (0.50) MTNR1BMTNR1ASIGMAR1
SCHEMBL6422049 0.81 MTNR1B (0.73) MTNR1BMTNR1A
SCHEMBL5872403 0.81 MTNR1B (0.56) MTNR1BMTNR1ASIGMAR1

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 1920/4885MTNR1A 1608/4885SIGMAR1 1480/4885

“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.