SCHEMBL9955174

SCHEMBL9955174

C[C@]1(C(F)(F)F)NC(c2ccccc2)CO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 5/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRCP P42785 1/20 0.31
GRIN2B Q13224 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL931762 1.00 MEN1 (0.34) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL9908773 1.00 MEN1 (0.34) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL9109553 1.00 MEN1 (0.34) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL9955172 1.00 MEN1 (0.34) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL931761 1.00 MEN1 (0.34) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL27366040 0.78 TSHR (0.39) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL16015416 0.74 PRCP (0.34) KDM1AMAOAMAOBTSHRCHRNB2
SCHEMBL29221256 0.74 KDM1A (0.34) MEN1KMT2AKDM1ATSHRALDH1A1
SCHEMBL28176221 0.74 ALDH1A1 (0.36) HCRTR1HCRTR2ALDH1A1AR
SCHEMBL18109536 0.74 KDM1A (0.34) MEN1KMT2AKDM1ATSHRALDH1A1

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
EP-2655375-B1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2014-12-03 EP disclosed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US disclosed
US-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-31 US disclosed
EP-2655375-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-30 EP disclosed
WO-2012085244-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-28 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 (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-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF DPYD, TYMP, DHPS MEN1 328/4885KMT2A 2643/4885KDM1A 2988/4885

“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.