SCHEMBL7786261

SCHEMBL7786261

COc1c(F)cccc1C1CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR1A P08908 2/20 0.36
CYP2D6 P10635 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
GRM2 Q14416 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTPN1 P18031 1/20 0.34
ACHE P22303 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL7786361 0.80 CYP19A1 (0.49) HTR1AKDM4EALDH1A1GAAMAPT
SCHEMBL7783854 0.80 HPGD (0.36) SLC6A2SLC6A4HTR1ACYP2D6TAAR1
SCHEMBL7786242 0.79 ACHE (0.38) HTR1ACYP2D6KDM4EALDH1A1MAPT
SCHEMBL7779150 0.79 MEN1 (0.35) TAAR1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL7783869 0.78 CYP2D6 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6GAA
SCHEMBL2046629 0.78 HTR1A (0.50) SLC6A2SLC6A4SLC6A3HTR1AGRM2
SCHEMBL27678923 0.76 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR1AGRM2
SCHEMBL14719955 0.76 KCNJ1 (0.44) GRM2KDM4EALDH1A1HSD17B10
SCHEMBL15912627 0.75 ALOX5AP (0.51) SLC6A2SLC6A4SLC6A3HTR1AGRM2
SCHEMBL18722793 0.75 KDM1A (0.37) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110431144-B Cyano-substituted heteroaryl pyrimidone derivatives, and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-05 CN disclosed
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (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-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ACACA, COASY, ACACB SLC6A2 3008/4885SLC6A4 3136/4885SLC6A3 4082/4885
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ACACA, COASY, ACACB SLC6A2 3008/4885SLC6A4 3136/4885SLC6A3 4082/4885

“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.