SCHEMBL9894748

SCHEMBL9894748

O=C(O)c1cnc(-c2ccccc2)n(C2CCCCC2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.45
OPRK1 P41145 9/20 0.45
OGFRL1 Q5TC84 9/20 0.45
OPRD1 P41143 8/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
GRM1 Q13255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
OPRL1 P41146 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40

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
SCHEMBL1527832 0.86 GAA (0.39) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL9894423 0.85 MAPT (0.54) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL27864217 0.81 GRM1 (0.38) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL454465 0.81 ALDH1A1 (0.37) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL12759851 0.76 ALOX15 (0.44) GAAALOX15GRM1KDM4ECNR1
SCHEMBL9894574 0.76 ALDH1A1 (0.34) GAAALOX15
SCHEMBL461803 0.75 HTT (0.49) GAAKDM4E
SCHEMBL30420660 0.75 CHEK1 (0.39) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL9894349 0.74 ALDH1A1 (0.33) ALOX15
SCHEMBL9894551 0.74 ALDH1A1 (0.33) ALOX15

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
US-9630928-B2 Intermediates to prepare herbicidal pyrimidone derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-25 US disclosed
EP-2475654-B1 HERBICIDAL PYRIMIDONE DERIVATIVES DU PONT (US) 2016-12-28 EP disclosed
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2016-01-28 US disclosed
US-9187432-B2 Intermediates to prepare herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-17 US disclosed
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2015-04-16 US disclosed
US-8952024-B2 Herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-10 US disclosed
CN-102596933-B Herbicidal pyrimidone derivatives DU PONT 2014-09-17 CN disclosed
CN-102596933-A Herbicidal pyrimidone derivatives DU PONT 2012-07-18 CN disclosed
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES FMC CORPORATION 2012-06-14 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 (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-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES CBR3, CYP1B1, CBR1 OPRM1 189/4885OPRK1 857/4885OGFRL1 641/4885
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 OPRM1 1480/4885OPRK1 2595/4885OGFRL1 2472/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO OPRM1 1512/4885OPRK1 2626/4885OGFRL1 2687/4885

“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.