SCHEMBL2260874

SCHEMBL2260874

OCCN(CCc1cccc(F)c1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.59
OPRM1 P35372 3/20 0.59
OPRD1 P41143 3/20 0.59
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TAAR1 Q96RJ0 3/20 0.53
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
MAPK1 P28482 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14544445 0.87 HTT (0.57) HTTMEN1KMT2ATAAR1LMNA
SCHEMBL27621739 0.85 OPRK1 (0.55) OPRK1OPRM1OPRD1HTTMEN1
SCHEMBL12362988 0.84 OPRK1 (0.64) OPRK1OPRM1OPRD1HTTMEN1
SCHEMBL12128568 0.83 TAAR1 (0.58) OPRK1OPRM1OPRD1TAAR1TSHR
SCHEMBL79747 0.80 HTT (0.62) OPRK1OPRM1OPRD1HTTMEN1
SCHEMBL12772088 0.78 MEN1 (0.53) OPRM1HTTMEN1KMT2ATAAR1
SCHEMBL9320386 0.78 HTT (0.66) OPRK1OPRM1OPRD1HTTMEN1
Water SCHEMBL28303092 0.78 HTT (0.61) OPRK1OPRM1OPRD1HTTMEN1
Bromide SCHEMBL15391224 0.78 HTT (0.61) OPRK1OPRM1OPRD1HTTMEN1
Hydrochloric Acid SCHEMBL2313460 0.78 HTT (0.61) OPRK1OPRM1OPRD1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090589-B2 Specific nNOS inhibitors for the therapy and prevention of human melanoma NORTHWESTERN UNIVERSITY (US) 2015-07-28 US disclosed
US-9090589-B2 Specific nNOS inhibitors for the therapy and prevention of human melanoma NORTHWESTERN UNIVERSITY (US) 2015-07-28 US disclosed
US-20140147920-A1 Specific nNOS Inhibitors for the Therapy and Prevention of Human Melanoma THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-29 US disclosed
US-20140147920-A1 Specific nNOS Inhibitors for the Therapy and Prevention of Human Melanoma THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-29 US disclosed
US-8642282-B2 Inhibitors of nitric oxide synthase for treatment of melanoma NORTHWESTERN UNIVERSITY (US) 2014-02-04 US disclosed
US-8642282-B2 Inhibitors of nitric oxide synthase for treatment of melanoma NORTHWESTERN UNIVERSITY (US) 2014-02-04 US disclosed
US-20120238016-A1 Specific nNOS Inhibitors for the Therapy And Prevention Of Human Melanoma NORTHWESTERN UNIVERSITY 2012-09-20 US disclosed
US-20120238016-A1 Specific nNOS Inhibitors for the Therapy And Prevention Of Human Melanoma NORTHWESTERN UNIVERSITY 2012-09-20 US disclosed
WO-2012097121-A2 SPECIFIC NNOS INHIBITORS FOR THE THERAPY AND PREVENTION OF HUMAN MELANOMA NORTHWESTERN UNIVERSITY (US) 2012-07-19 WO disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-20080176907-A1 NOS Inhibitors For Treatment Of Motor Deficit Disorders NORTHWESTERN UNIVERSITY (US) 2008-07-24 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
WO-2008042353-A1 POTENT AND HIGHLY SELECTIVE HETEROAROMATIC INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2008-04-10 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 (3 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-20080176907-A1 NOS Inhibitors For Treatment Of Motor Deficit Disorders NOS1, NOS3, SMN1; SMN2 OPRK1 1456/4885OPRM1 1631/4885OPRD1 894/4885
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 OPRK1 642/4885OPRM1 353/4885OPRD1 802/4885
US-20140147920-A1 Specific nNOS Inhibitors for the Therapy and Prevention of Human Melanoma NOS3, NOS1, NOS2 OPRK1 2265/4885OPRM1 2656/4885OPRD1 2834/4885

“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.