SCHEMBL10165325

SCHEMBL10165325

COc1cc(F)cc(-c2ccc(C)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.45
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ PGR P06401 2/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ABCB1 P08183 3/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39

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
SCHEMBL22454025 0.88 CYP1A1 (0.52) ABL1BCRCYP1A1CYP1B1ABCB1
SCHEMBL30516658 0.79 KDM1A (0.41) KDM1AABL1BCRPGRFGFR1
SCHEMBL25367489 0.79 KDM1A (0.41) KDM1AABL1BCRPGRFGFR1
SCHEMBL21589900 0.78 ABL1 (0.50) KDM1AABL1BCRPGRCYP1A1
SCHEMBL30338748 0.77 CYP11B2 (0.56) CYP1A1CYP1B1ABCB1GRM5
SCHEMBL13362350 0.77 CYP11B2 (0.56) CYP1A1CYP1B1ABCB1GRM5
SCHEMBL3265456 0.77 DYRK1A (0.56) ABL1BCRFGFR1DYRK1A
SCHEMBL3265693 0.77 ABL1 (0.55) ABL1BCRCYP1A1CYP1B1DYRK1A
SCHEMBL15025716 0.74 HPGDS (0.50) TDO2PDE10A
SCHEMBL10165304 0.74 TAAR1 (0.50) TDO2GRM5

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
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 — — US disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 — — US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 — — US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 — — 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A KDM1A 3678/4885ABL1 208/4885BCR 3000/4885

“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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