SCHEMBL4055699

SCHEMBL4055699

CCC(C)(CCC(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
KIF11 P52732 5/20 0.39
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CTDSP1 Q9GZU7 1/20 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
SCHEMBL4058267 0.92 CYP2C19 (0.49) CYP2C19HIF1AMAPTKMT2ACYP2D6
SCHEMBL13851677 0.86 HIF1A (0.58) CYP2C19HIF1AMAPTKMT2ACYP2D6
SCHEMBL28607003 0.83 KIF11 (0.43) CYP2C19MAPTKMT2ACYP2D6MEN1
SCHEMBL3233776 0.81 CYP2C19 (0.45) CYP2C19HIF1AMAPTKMT2ACYP2D6
SCHEMBL17064282 0.81 MAPT (0.44) CYP2C19HIF1AMAPTKMT2ACYP2D6
SCHEMBL2095353 0.80 CYP3A4 (0.53) CYP2C19HIF1AMAPTKMT2ACYP2D6
SCHEMBL5898545 0.79 MAPT (0.43) CYP2C19HIF1AMAPTKMT2ACYP2D6
SCHEMBL4795430 0.78 MAPT (0.39) CYP2C19HIF1AMAPTKMT2ACYP2D6
SCHEMBL13865463 0.76 KIF11 (0.55) MAPTKMT2AKIF11HTT
SCHEMBL5571409 0.76 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046560-A1 STEM CELL MODULATION II University of Canberra (AU) 2016-07-27 EP disclosed
WO-2015039187-A1 STEM CELL MODULATION II UNIVERSITY OF CANBERRA (AU) 2015-03-26 WO disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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 (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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH CYP2C19 1705/4885HIF1A 2021/4885MAPT 3633/4885

“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.