SCHEMBL4916048

SCHEMBL4916048

c1ccc(C2(c3ncc[nH]3)CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.59
HTR2A P28223 1/20 0.51
AKT2 P31751 1/20 0.44
TACR1 P25103 4/20 0.38
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
MEN1 O00255 3/20 0.36
CYP2C9 P11712 3/20 0.36
TSHR P16473 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 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
SCHEMBL6032011 0.80 OPRM1 (0.53) OPRM1TACR1MTORADKNISCH
SCHEMBL738518 0.76 OPRM1 (1.00) OPRM1HTR2AAKT2TACR1MEN1
SCHEMBL27999872 0.76 F10 (0.35) MEN1CYP2C9TSHRKMT2ACYP3A4
Hydrochloric Acid SCHEMBL1765284 0.74 OPRM1 (0.95) OPRM1HTR2AAKT2TACR1MEN1
SCHEMBL28000139 0.74 DGAT2 (0.34) OPRM1MEN1CYP2C9TSHRKMT2A
SCHEMBL21788599 0.73 OPRM1 (0.63) OPRM1HTR2AAKT2TACR1MEN1
SCHEMBL8351479 0.73 NISCH (0.44) OPRM1NISCHMEN1CYP2C9TSHR
SCHEMBL20493612 0.73 CYP2D6 (0.46) OPRM1TACR1NISCHMEN1CYP2C9
SCHEMBL2309386 0.72 OPRM1 (0.56) OPRM1HTR2AAKT2MEN1TSHR
SCHEMBL8353505 0.71 NISCH (0.42) OPRM1NISCHMEN1CYP2C9TSHR

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298744-B1 Opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-06-26 EP disclosed
US-7390822-B2 Substituted 4-phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives for reducing ischaemic damage JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7390822-B2 Substituted 4-phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives for reducing ischaemic damage JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7390822-B2 Substituted 4-phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives for reducing ischaemic damage JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-20080096925-A1 Novel Substituted 4-Phenyl-4[H-Imidazol-2-YL]-Piperidine Derivatived And Their Use As Selective Non-Peptide Delta Opioid Agonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
US-20080096925-A1 Novel Substituted 4-Phenyl-4[H-Imidazol-2-YL]-Piperidine Derivatived And Their Use As Selective Non-Peptide Delta Opioid Agonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
CN-100354273-C Substituted 4-phenyl-4- (1H-imidazol-2-yl) -piperidine derivatives and their use as selective non-peptide delta opioid agonists JANSSEN PHARMACEUTICA NV (BE) 2007-12-12 CN disclosed
CN-100354273-C Substituted 4-phenyl-4- (1H-imidazol-2-yl) -piperidine derivatives and their use as selective non-peptide delta opioid agonists JANSSEN PHARMACEUTICA NV (BE) 2007-12-12 CN disclosed
CN-100354273-C Substituted 4-phenyl-4- (1H-imidazol-2-yl) -piperidine derivatives and their use as selective non-peptide delta opioid agonists JANSSEN PHARMACEUTICA NV (BE) 2007-12-12 CN disclosed
US-7282508-B2 Substituted 4-phenyl-4-(1H-imidazol-2-yl)-piperidine derivatives and their use as selective non-peptide delta opioid agonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
WO-2004089372-A1 SUBSTITUTED 4-PHENYL-4-`1H-IMIDAZOL-2-YL !-PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE NON-PEPTIDE DELTA OPIOID AGONISTS WITH ANTIDEPRESSANT AND ANXIOLYTIC ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-21 WO disclosed
EP-1438049-A2 SUBSTITUTED 4-PHENYL-4-(1H-IMIDAZOL-2-YL)-PIPERIDINE DERIVATIVES FOR REDUCING ISCHAEMIC DAMAGE JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-21 EP disclosed
EP-1438049-A2 SUBSTITUTED 4-PHENYL-4-(1H-IMIDAZOL-2-YL)-PIPERIDINE DERIVATIVES FOR REDUCING ISCHAEMIC DAMAGE JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-21 EP disclosed
EP-1438304-A1 NOVEL SUBSTITUTED 4-PHENYL-4- 1H-IMIDAZOL-2-YL]-PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE NON-PEPTIDE DELTA OPIOID AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-21 EP disclosed
EP-1438304-A1 NOVEL SUBSTITUTED 4-PHENYL-4- 1H-IMIDAZOL-2-YL]-PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE NON-PEPTIDE DELTA OPIOID AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-21 EP disclosed
WO-2003039440-A3 SUBSTITUTED 4-PHENYL-4-(1H-IMIDAZOL-2-YL)-PIPERIDINE DERIVATIVES FOR REDUCING ISCHAEMIC DAMAGE JANSSEN PHARMACEUTICA NV (BE) 2003-12-18 WO disclosed
WO-2003039440-A2 SUBSTITUTED 4-PHENYL-4-(1H-IMIDAZOL-2-YL)-PIPERIDINE DERIVATIVES FOR REDUCING ISCHAEMIC DAMAGE JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-15 WO disclosed
WO-2003039440-A2 SUBSTITUTED 4-PHENYL-4-(1H-IMIDAZOL-2-YL)-PIPERIDINE DERIVATIVES FOR REDUCING ISCHAEMIC DAMAGE JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-15 WO disclosed
WO-2003033486-A1 NOVEL SUBSTITUTED 4-PHENYL-4-[1H-IMIDAZOL-2-YL]-PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE NON-PEPTIDE DELTA OPIOID AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-24 WO disclosed
WO-2003033486-A1 NOVEL SUBSTITUTED 4-PHENYL-4-[1H-IMIDAZOL-2-YL]-PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE NON-PEPTIDE DELTA OPIOID AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-24 WO 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-20080096925-A1 Novel Substituted 4-Phenyl-4[H-Imidazol-2-YL]-Piperidine Derivatived And Their Use As Selective Non-Peptide Delta Opioid Agonists OPRD1, OPRK1, OPRL1 OPRM1 4/4885HTR2A 662/4885AKT2 2974/4885

“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.