SCHEMBL2275141

SCHEMBL2275141

CC1(C#N)CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
CYP3A4 P08684 4/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
OPRL1 P41146 2/20 0.46
TSHR P16473 4/20 0.46
CYP2D6 P10635 4/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.45
MC4R P32245 1/20 0.45

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
SCHEMBL24712978 0.90 OPRM1 (0.65) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL4817148 0.78 CYP3A4 (0.56) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL2262610 0.78 CYP3A4 (0.56) CYP3A4HSD17B10GAASIGMAR1OPRL1
SCHEMBL15325219 0.78 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL3893581 0.78 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL9177367 0.78 OPRM1 (0.54) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL12022949 0.77 OPRM1 (0.69) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL28249792 0.76 OPRM1 (0.55) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL29203386 0.76 OPRM1 (0.55) OPRM1CYP3A4HSD17B10GAASIGMAR1
SCHEMBL3495380 0.76 CYP2D6 (0.52) OPRM1CYP3A4HSD17B10OPRL1TSHR

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-2834221-B1 CYCLIC AMIDES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-05-25 EP disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
EP-0255908-B1 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them WARNER LAMBERT CO (US) 1994-10-19 EP disclosed
US-4771055-A BACTERICIDES WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0255908-A2 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them WARNER-LAMBERT COMPANY (US) 1988-02-17 EP 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 OPRM1 4108/4885CYP3A4 2784/4885HSD17B10 4037/4885

“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.