SCHEMBL19475800

SCHEMBL19475800

N#Cc1ccc(CNc2ccc3c(c2)CCNC3)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ PNMT P11086 2/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ KCNJ1 P48048 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ EED O75530 1/20 0.37
▸ RBBP4 Q09028 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ AEBP2 Q6ZN18 1/20 0.37
▸ MELK Q14680 1/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL19512955 0.83 DRD2 (0.52) DRD2DRD3PNMTKCNJ1MELK
SCHEMBL2640999 0.75 PNMT (0.50) PNMTCYP2C19DDB1CRBNASIC3
SCHEMBL20945425 0.75 KCNJ1 (0.47) ROCK2KCNJ1ALDH1A1
SCHEMBL17797535 0.72 MAPT (0.53) ROCK2ALDH1A1MAPT
SCHEMBL25324819 0.70 PNMT (0.53) DRD2DRD3PNMTASIC3HTR2A
SCHEMBL30474289 0.70 PNMT (0.53) DRD2DRD3PNMTASIC3HTR2A
SCHEMBL19512840 0.70 ESR2 (0.50) KCNJ1
SCHEMBL2484588 0.69 ASIC3 (0.50) DRD2DRD3PNMTDDB1CRBN
SCHEMBL18668939 0.68 PNMT (0.45) DRD2DRD3PNMTALDH1A1MAPT
SCHEMBL8229044 0.67 TRPV4 (0.53) KCNJ1

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
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — WO disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — 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 (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-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS NR0B1, GRK4, CRKL DRD2 1511/4885DRD3 851/4885PNMT 4657/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL DRD2 1511/4885DRD3 851/4885PNMT 4657/4885

“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.

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