SCHEMBL2419398

SCHEMBL2419398

CC(C)(C)n1nc(C2CC2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TGFBR1 P36897 2/20 0.37
▸ RET P07949 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ SRC P12931 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
SCHEMBL17387673 1.00 CYP3A4 (0.43) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL24741970 0.93 NPC1 (0.50) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL4712988 0.93 SMN1; SMN2 (0.46) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL24742033 0.87 CYP3A4 (0.36) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL29987402 0.86 CYP3A4 (0.38) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL24741784 0.86 CYP3A4 (0.38) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL29207594 0.86 CYP3A4 (0.38) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL29987681 0.86 CYP3A4 (0.38) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL25346203 0.86 SMN1; SMN2 (0.33) CYP3A4GAACYP2C19SMN1; SMN2NPC1
SCHEMBL22287076 0.85 SMN1; SMN2 (0.34) CYP3A4GAACYP2C19SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 — — EP disclosed
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 — — EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 — — US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 — — US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 — — US disclosed
WO-2010056631-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) SCHERING CORPORATION (US) 2010-05-20 — — 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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 CYP3A4 1592/4885GAA 918/4885CYP2C19 2633/4885

“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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