SCHEMBL3606455

SCHEMBL3606455

C[C@@H](c1ccccc1)N1CC[C@H](CO)[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
OPRL1 P41146 2/20 0.45
CYP2D6 P10635 1/20 0.43
AR P10275 1/20 0.40
MC4R P32245 1/20 0.39
HTR1A P08908 2/20 0.38
CCR5 P51681 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL844723 0.84 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL3759235 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL21338812 0.80 KCNA5 (0.41) OPRM1OPRD1OPRK1OPRL1HTR1A
SCHEMBL9683882 0.80 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL28280983 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL28280982 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL28870396 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL21334003 0.76 KMT2A (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL21334004 0.76 KMT2A (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL3595828 0.76 KMT2A (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 OPRM1 676/4885OPRD1 312/4885OPRK1 659/4885

“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.