SCHEMBL4479586

SCHEMBL4479586

O=C(O)C1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RORC P51449 2/20 0.49
OPRM1 P35372 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRD1 P41143 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL4479581 1.00 TAS2R14 (0.57) TAS2R14MEN1KMT2ARORCOPRM1
SCHEMBL1965678 0.91 TAS2R14 (0.49) TAS2R14MEN1KMT2ARORCOPRM1
SCHEMBL5166106 0.84 MEN1 (0.53) TAS2R14MEN1KMT2AKDM4EHSD17B10
SCHEMBL30093246 0.84 OPRM1 (0.57) RORCOPRM1OPRK1OPRD1KDM4E
SCHEMBL8313789 0.81 OPRM1 (0.51) RORCOPRM1OPRK1OPRD1KDM4E
SCHEMBL5519308 0.81 KDM4E (0.54) RORCOPRM1OPRK1OPRD1KDM4E
SCHEMBL8313794 0.81 OPRM1 (0.51) RORCOPRM1OPRK1OPRD1KDM4E
SCHEMBL5519302 0.81 KDM4E (0.54) RORCOPRM1OPRK1OPRD1KDM4E
SCHEMBL26626553 0.81 OPRM1 (0.51) RORCOPRM1OPRK1OPRD1KDM4E
SCHEMBL5517631 0.81 RORC (0.47) TAS2R14MEN1KMT2ARORCOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH TAS2R14 2994/4885MEN1 4217/4885KMT2A 2429/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH TAS2R14 2994/4885MEN1 4217/4885KMT2A 2429/4885

“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.