SCHEMBL6002199

SCHEMBL6002199

Cc1ccc2c(c1)C(N1CCN(C)CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.48
MTNR1A P48039 5/20 0.46
DRD2 P14416 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL19406891 0.89 CHRNA7 (0.46) MTNR1BMTNR1A
SCHEMBL6384586 0.83 DRD2 (0.51) MTNR1BMTNR1ADRD2SLC6A3LMNA
SCHEMBL22993435 0.81 CHRNA7 (0.61)
SCHEMBL6383997 0.79 DRD2 (0.48) DRD2
SCHEMBL18658623 0.79 MTNR1B (0.66) MTNR1BMTNR1ALMNA
SCHEMBL6002202 0.78 CHRNA7 (0.62) GPR84
SCHEMBL15759195 0.75 GRIN2B (0.45) LMNA
SCHEMBL6406991 0.74 MTNR1B (0.47) MTNR1BMTNR1ADRD2
SCHEMBL6001636 0.74 DRD2 (0.52) MTNR1BDRD2SLC6A3LMNA
SCHEMBL6405341 0.74 MTNR1B (0.50) MTNR1BDRD2SLC6A2SLC6A4SLC6A3

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 1608/4885DRD2 1222/4885

“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.