SCHEMBL917006

SCHEMBL917006

[O-][N+]1(CCc2ccccc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
HTR2A P28223 2/20 0.41
CYP2A6 P11509 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
OPRM1 P35372 1/20 0.40
CHRM3 P20309 2/20 0.39
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL3683455 0.98 CYP2D6 (0.44) CYP2D6HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL5871483 0.81 TAAR1 (0.45) TAAR1LOXL2SIGMAR1
SCHEMBL596253 0.79 HIF1A (0.39) CYP2D6SIGMAR1ALDH1A1MAPTAPOBEC3A
SCHEMBL11846749 0.77 HIF1A (0.41) CYP2D6LOXL2SIGMAR1SLC6A3ALDH1A1
SCHEMBL9935058 0.76 ALDH1A1 (0.51) CYP2D6CHRM3ALDH1A1HPGDMAPT
Water SCHEMBL16291574 0.74 ALDH1A1 (0.50) CYP2D6CHRM3ALDH1A1HPGDMAPT
SCHEMBL7363979 0.74 SIGMAR1 (0.40) CYP2D6SIGMAR1OPRM1CHRM3SLC6A3
SCHEMBL9935073 0.73 KCNH2 (0.49) CYP2D6CHRM3ALDH1A1HPGDMAPT
SCHEMBL8129725 0.73 HTR2A (0.43) CYP2D6HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL1831948 0.72 HIF1A (0.41) CYP2D6LOXL2SIGMAR1SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252149-B1 A METHOD FOR THE PREPARATION OF FENTANYL DIRECTOR GENERAL DEFENCE RES & DEV ORG (IN) 2013-11-20 EP disclosed
US-8399677-B2 Method for the preparation of fentanyl DEFENCE RESEARCH & DEVELOPMENT ORGANISATION (IN) 2013-03-19 US disclosed
US-20110021781-A1 Method for the Preparation of Fentanyl Director General Defence Research & Development Organization, Ministry of Defence (IN) 2011-01-27 US disclosed
EP-2252149-A2 A METHOD FOR THE PREPARATION OF FENTANYL Director General, Defence Research & Development Organisation (IN) 2010-11-24 EP disclosed
WO-2009116084-A2 A METHOD FOR THE PREPARATION OF FENTANYL DIRECTOR GENERAL, DEFENCE RESEARCH & DEVELOPMENT ORGANISATION, MINISTRY OF DEFENCE (IN) 2009-09-24 WO disclosed
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS CARRUTHERS NICHOLAS I 2008-06-05 US disclosed
US-7317025-B2 Non-peptidic NPY Y2 receptor inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, LLC (US) 2008-01-08 US disclosed
WO-2005030754-A1 INDOLE OR QUINOLINE DERIVATIVES AS NON-PEPTICID NPY Y2 RECEPTOR INHIBITORS USEFUL FOR THE TREATMENT OF ANXIOLYTIC AND DEPRESSIVE DISORDERS AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-07 WO disclosed
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 US disclosed
WO-1999032488-A1 METHOD FOR PREPARING A HYDANTOIN DERIVATIVE SUBSTITUTED IN POSITION 5, METHOD FOR PREPARING AN α-AMINO ACID ALKALINE SALT FROM SAID HYDANTOIN DERIVATIVE AND METHOD FOR ESTERIFYING CYCLIC α-AMINO ACIDS SERANALIS (FR) 1999-07-01 WO disclosed
US-4900738-A OPIOID ANTAGONISTS; REDUCE SIDE EFFECTS BOC, INC. (US) 1990-02-13 US disclosed
US-4791112-A ANALGESICS, NAQRCOTIC ANTAGONISTS THE BOC GROUP, INC. (US) 1988-12-13 US disclosed
US-4481360-A 4H-1,2,4-Triazol-3-yl compounds THE UPJOHN COMPANY (US) 1984-11-06 US disclosed
US-4225731-A Process for the preparation of trifluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 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 (2 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-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS NPY2R, NPY1R, NPY5R CYP2D6 4313/4885HTR2A 91/4885CYP2A6 3804/4885
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors NPY2R, NPY1R, NPY5R CYP2D6 4313/4885HTR2A 91/4885CYP2A6 3804/4885

“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.