SCHEMBL19853069

SCHEMBL19853069

CCCC(C)c1cc(F)ccn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.34
HRH4 Q9H3N8 2/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KCNH2 Q12809 3/20 0.32
KCNA5 P22460 1/20 0.31

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
SCHEMBL21509725 0.90 KCNH2 (0.34) F2RL1HRH4CHRM2CHRM4CHRM5
SCHEMBL23982923 0.87 HRH4 (0.34) F2RL1HRH4ALDH1A1HPGDCHRM2
SCHEMBL23982991 0.87 ADA (0.37) F2RL1HRH4
SCHEMBL18672385 0.80 UHRF1 (0.42) ALDH1A1HPGD
SCHEMBL21185561 0.79 NOS3 (0.47) ALDH1A1KCNH2KCNA5
SCHEMBL24421538 0.78 ADRB2 (0.50) HRH4ALDH1A1
SCHEMBL11947092 0.77 CHRNA7 (0.36) HRH4CHRM2CHRM4CHRM5CHRM1
SCHEMBL26041435 0.76 CCR1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23870919 0.75 ADA (0.35) HPGD
SCHEMBL23542593 0.74 TAAR1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081473-A1 A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-21 WO disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 F2RL1 2810/4885HRH4 426/4885ALDH1A1 2952/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 F2RL1 2810/4885HRH4 426/4885ALDH1A1 2952/4885

“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.