SCHEMBL2307728

SCHEMBL2307728

c1ccc(-c2nc([C@H]3CCCCN3)cs2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
CPT1A P50416 1/20 0.46
RAB9A P51151 7/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PKM P14618 1/20 0.44
GFER P55789 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
CYP19A1 P11511 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
POLB P06746 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL2307731 1.00 PDE10A (0.49) PDE10ACPT1ARAB9AALDH1A1KDM4E
SCHEMBL2304260 0.81 MEN1 (0.44) CPT1ASMN1; SMN2MEN1CYP2D6CYP2C19
SCHEMBL2304256 0.81 MEN1 (0.44) CPT1ASMN1; SMN2MEN1CYP2D6CYP2C19
SCHEMBL2505480 0.79 SMN1; SMN2 (0.53) RAB9AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2306060 0.79 SMN1; SMN2 (0.44) CPT1ARAB9AKDM4EMAPTCYP19A1
SCHEMBL2306066 0.79 SMN1; SMN2 (0.44) CPT1ARAB9AKDM4EMAPTCYP19A1
SCHEMBL2304329 0.78 ALDH1A1 (0.49) CPT1ARAB9AALDH1A1KDM4EMAPT
SCHEMBL2304324 0.78 ALDH1A1 (0.49) CPT1ARAB9AALDH1A1KDM4EMAPT
SCHEMBL3536308 0.78 CHRNB2 (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1CYP2D6
SCHEMBL3163175 0.78 CHRNB2 (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1CYP2D6

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
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 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-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 PDE10A 1287/4885CPT1A 1/4885RAB9A 2688/4885

“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.