SCHEMBL1147398

SCHEMBL1147398

CC(C)c1ccc(NC(=O)N2CCC(N)(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
PANK3 Q9H999 11/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
FAAH O00519 1/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 2/20 0.52
TRPV1 Q8NER1 3/20 0.52

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
Hydrochloric Acid SCHEMBL15387462 0.99 NPC1 (0.60) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL1147421 0.95 NPC1 (0.56) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL1147428 0.94 PANK3 (0.64) NPC1RAB9APANK3MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1160612 0.94 NPC1 (0.55) NPC1RAB9APANK3MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1160745 0.93 PANK3 (0.63) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL1147379 0.92 TRPV1 (0.55) NPC1RAB9APANK3MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1160542 0.91 TRPV1 (0.54) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL1160481 0.88 EPHX2 (0.57) NPC1RAB9AALDH1A1TRPV1
Hydrochloric Acid SCHEMBL1160699 0.87 EPHX2 (0.56) NPC1RAB9AALDH1A1TRPV1
SCHEMBL1146778 0.85 PTPN1 (0.48) NPC1RAB9AMAPTSMN1; SMN2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 EP claimed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO claimed
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 NPC1 445/4885RAB9A 591/4885PANK3 1776/4885

“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.