SCHEMBL6001693

SCHEMBL6001693

CN1CCN(C2CCc3ccccc3C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.64
TSHR P16473 1/20 0.55
OPRL1 P41146 5/20 0.54
OPRM1 P35372 3/20 0.54
OPRK1 P41145 3/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.50
OPRD1 P41143 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 1/20 0.47
HRH1 P35367 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL9947167 1.00 GRIN2B (0.64) GRIN2BTSHROPRL1OPRM1OPRK1
SCHEMBL6001937 0.87 GRIN2B (0.56) GRIN2BOPRL1OPRM1LMNAALDH1A1
SCHEMBL9947176 0.85 GRIN2B (0.68) GRIN2BTSHROPRL1OPRM1OPRK1
SCHEMBL8673995 0.85 GRIN2B (0.68) GRIN2BTSHROPRL1OPRM1OPRK1
SCHEMBL9727205 0.85 GRIN2B (0.68) GRIN2BTSHROPRL1OPRM1OPRK1
SCHEMBL9506641 0.84 GRIN2B (0.66) GRIN2BTSHROPRL1OPRM1OPRK1
SCHEMBL9947164 0.84 GRIN2B (0.66) GRIN2BTSHROPRL1OPRM1OPRK1
SCHEMBL7436031 0.84 GRIN2B (0.66) GRIN2BTSHROPRL1OPRM1OPRK1
SCHEMBL9018525 0.84 GRIN2B (0.66) GRIN2BTSHROPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7938970 0.82 GRIN2B (0.64) GRIN2BTSHROPRL1OPRM1OPRK1

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 GRIN2B 926/4885TSHR 1846/4885OPRL1 806/4885

“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.