SCHEMBL2307997

SCHEMBL2307997

COc1ccc(-c2nc([C@H]3CCCCN3)cs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
CPT2 P23786 2/20 0.50
CPT1A P50416 2/20 0.50
CYP2A6 P11509 2/20 0.39
CPT1B Q92523 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
SSTR2 P30874 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FFAR2 O15552 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2308004 1.00 CYP19A1 (0.50) CYP19A1CPT2CPT1ACYP2A6CPT1B
SCHEMBL2311565 0.84 CPT2 (0.47) CYP19A1CPT2CPT1ACYP2A6CPT1B
SCHEMBL2311560 0.84 CPT2 (0.47) CYP19A1CPT2CPT1ACYP2A6CPT1B
SCHEMBL2303917 0.79 CPT1A (0.49) CPT2CPT1ACYP2A6CPT1BIRAK4
SCHEMBL2303909 0.79 CPT1A (0.49) CPT2CPT1ACYP2A6CPT1BIRAK4
SCHEMBL2310395 0.76 KDM4E (0.46) CYP19A1CPT1ACYP2A6
SCHEMBL2310391 0.76 KDM4E (0.46) CYP19A1CPT1ACYP2A6
SCHEMBL2311020 0.76 CPT1A (0.52) CPT2CPT1A
SCHEMBL2311015 0.76 CPT1A (0.52) CPT2CPT1A
SCHEMBL2306060 0.76 SMN1; SMN2 (0.44) CYP19A1CPT1ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039487-B2 Piperidine-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
EP-2155738-B1 PIPERIDINE-AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-03 EP disclosed
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 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-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 CYP19A1 383/4885CPT2 3/4885CPT1A 1/4885

“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.