SCHEMBL3087623

SCHEMBL3087623

Cc1cc(NCc2ccccc2)cc2c1CC1CCN(C)CC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
DRD1 P21728 3/20 0.38
HTR2A P28223 2/20 0.38
ADRA2A P08913 2/20 0.38
DRD2 P14416 1/20 0.38
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3087627 1.00 OPRD1 (0.39) OPRD1OPRM1OPRK1DRD1HTR2A
SCHEMBL3072580 0.79 MAPT (0.39) KDM4EHSD17B10MAPTMEN1ALDH1A1
SCHEMBL3072579 0.79 MAPT (0.39) KDM4EHSD17B10MAPTMEN1ALDH1A1
SCHEMBL3090113 0.73 MAPT (0.50) DRD2KDM4EHSD17B10MAPTMEN1
SCHEMBL3090108 0.73 MAPT (0.50) DRD2KDM4EHSD17B10MAPTMEN1
SCHEMBL13776992 0.72 HTR1A (0.47) OPRD1OPRM1OPRK1DRD1HTR2A
SCHEMBL3083280 0.70 DRD2 (0.46) DRD2
SCHEMBL3083277 0.70 DRD2 (0.46) DRD2
SCHEMBL4492625 0.68 CHRNB2 (0.40) OPRD1OPRM1OPRK1DRD1HTR2A
SCHEMBL13627337 0.68 CHRNB2 (0.40) OPRD1OPRM1OPRK1DRD1HTR2A

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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US 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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A OPRD1 22/4885OPRM1 23/4885OPRK1 19/4885

“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.