SCHEMBL6002487

SCHEMBL6002487

Cc1cc(F)ccc1Oc1ccccc1C1(O)CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHRM4 P08173 1/20 0.38
MC4R P32245 1/20 0.37
CCR8 P51685 1/20 0.37
CCR1 P32246 1/20 0.37
HDAC4 P56524 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PIN1 Q13526 3/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL4701924 0.90 HTR1A (0.44) OPRM1OPRD1OPRK1OPRL1L3MBTL1
SCHEMBL4702045 0.88 L3MBTL1 (0.56) OPRD1L3MBTL1
SCHEMBL4701060 0.86 PDK2 (0.43) L3MBTL1
SCHEMBL5380205 0.79 DRD2 (0.49) OPRM1OPRD1OPRK1OPRL1L3MBTL1
SCHEMBL6003541 0.79 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1CHRM4
SCHEMBL28758594 0.78 SLC6A1 (0.40) CCR8DRD2DRD4DRD3
SCHEMBL4702916 0.78 L3MBTL1 (0.57) L3MBTL1
SCHEMBL6003865 0.76 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1CHRM4
SCHEMBL4789410 0.76 HTR1A (0.42) L3MBTL1
SCHEMBL4702942 0.76 APP (0.44) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293360-A1 4-(2-Phenyloxyphenyl)-piperidine or-1,2,3,6-tetrahydropyridine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-12-28 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-20060293360-A1 4-(2-Phenyloxyphenyl)-piperidine or-1,2,3,6-tetrahydropyridine derivatives as serotonin reuptake inhibitors HTR1D, TPH1, HTR2C OPRM1 59/4885OPRD1 24/4885OPRK1 43/4885

“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.