SCHEMBL6841537

SCHEMBL6841537

COc1ccc2c(c1)CCC1(CCN(C(C)C3CC3)CC1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 9/20 0.47
HTR2A P28223 8/20 0.47
HTR2C P28335 8/20 0.47
HTR2B P41595 8/20 0.47
DRD2 P14416 7/20 0.47
PRNP P04156 1/20 0.41
CYP24A1 Q07973 3/20 0.38
CYP26A1 O43174 2/20 0.38
CYP27A1 Q02318 1/20 0.38
CYP19A1 P11511 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL6841582 0.91 SIGMAR1 (0.47) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6841148 0.83 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18815844 0.80 SMN1; SMN2 (0.59) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL27081326 0.80 SMN1; SMN2 (0.59) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6841463 0.79 SIGMAR1 (0.60) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6841620 0.77 SIGMAR1 (0.64) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6836334 0.77 HTR2A (0.42) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6841619 0.76 SIGMAR1 (0.69) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL29966360 0.76 SMN1; SMN2 (0.55) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6840784 0.76 SMN1; SMN2 (0.55) SMN1; SMN2SIGMAR1HTR2AHTR2CHTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 WO claimed
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 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-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 SMN1; SMN2 1008/4885SIGMAR1 11/4885HTR2A 281/4885

“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.