SCHEMBL3901287

SCHEMBL3901287

Fc1ccc(C(c2ccc(F)cc2)C2CNCCN2C(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 3/20 0.40
SIGMAR1 Q99720 1/20 0.38
CYP19A1 P11511 2/20 0.35
CYP2D6 P10635 1/20 0.35
ACHE P22303 3/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
P4HB P07237 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL21910237 0.90 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL21831226 0.90 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL21831225 0.90 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL3919530 0.84 MEN1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL21831877 0.81 SIGMAR1 (0.39) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL21831186 0.81 SIGMAR1 (0.39) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL21831184 0.81 SIGMAR1 (0.39) OPRM1OPRD1OPRK1OPRL1SIGMAR1
Hydrochloric Acid SCHEMBL30910922 0.80 SIGMAR1 (0.38) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL21831083 0.78 SIGMAR1 (0.40) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL21831856 0.77 SIGMAR1 (0.39) OPRM1OPRD1OPRK1OPRL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546103-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL DISEASES VERTEX PHARMA (US) 2009-03-18 EP disclosed
US-20040180880-A1 Piperazine and piperidine derivatives LAUFFER DAVID J (US) 2004-09-16 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-20040180880-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF OPRM1 2677/4885OPRD1 1717/4885OPRK1 1667/4885

“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.