SCHEMBL9034344

SCHEMBL9034344

Fc1ccccc1C1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.55
POLB P06746 1/20 0.54
OPRM1 P35372 2/20 0.51
SIGMAR1 Q99720 10/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 3/20 0.51
CYP2C19 P33261 3/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
DRD2 P14416 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
MAPK1 P28482 1/20 0.51
HTR2B P41595 1/20 0.51
MTOR P42345 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL11738755 0.84 OPRL1 (0.69) OPRL1POLBOPRM1SIGMAR1CYP3A4
SCHEMBL17982780 0.84 CYP3A4 (0.51) OPRL1POLBOPRM1SIGMAR1CYP3A4
SCHEMBL31158331 0.84 CYP3A4 (0.51) OPRL1POLBOPRM1SIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL11744428 0.82 POLB (0.70) OPRL1POLBOPRM1SIGMAR1CYP3A4
SCHEMBL6042326 0.81 OPRL1 (0.66) OPRL1POLBOPRM1SIGMAR1CYP3A4
SCHEMBL17799025 0.80 OPRL1 (0.55) OPRL1POLBOPRM1SIGMAR1CYP3A4
SCHEMBL23660796 0.78 OPRM1 (0.69) OPRL1OPRM1SIGMAR1CYP3A4TSHR
SCHEMBL31158302 0.78 TSHR (0.54) OPRL1POLBSIGMAR1CYP3A4TSHR
SCHEMBL23647439 0.78 TSHR (0.54) OPRL1POLBSIGMAR1CYP3A4TSHR
SCHEMBL11743900 0.75 SIGMAR1 (0.66) OPRL1POLBOPRM1SIGMAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2015061-A None JP disclosed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
EP-0315405-B1 4-phenyl-4-(N-(2-fluorophenyl)amido) piperidine derivatives OHMEDA PHARMA PROD (US) 1996-01-24 EP disclosed
US-5013742-A Analgesics, Anesthetics, Narcotic Antagonists BOC, INC. (US) 1991-05-07 US disclosed
US-4957929-A ANALGESICS, ANESTHETICS BOC, INC. (US) 1990-09-18 US disclosed
US-4921864-A 4-Phenyl-4-(N-(phenyl)amido) piperidine derivatives and pharmaceutical compositions and method employing such compounds BOC, INC. (US) 1990-05-01 US disclosed
JP-H0215061-A 4-PHENYL-4-(N-(PHENYL)AMIDE)PIPERIDINE DERIVATIVE AND PREPARATION COMPOSITION CONTAINING THE SAME BOC GROUP INC:THE 1990-01-18 JP disclosed
EP-0315405-A1 4-phenyl-4-(N-(2-fluorophenyl)amido) piperidine derivatives Ohmeda Pharmaceutical Products Division Inc. (US) 1989-05-10 EP disclosed
US-4791121-A ANALGESICS THE BOC GROUP, INC. (US) 1988-12-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 OPRL1 116/4885POLB 3364/4885OPRM1 341/4885

“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.