SCHEMBL2278504

SCHEMBL2278504

CC(C)(C)OC(=O)N1CCC(Nc2nc3n(n2)CC(O)CC3c2ccc(F)cc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDH1 O75874 1/20 0.40
IDH2 P48735 1/20 0.40
OPRL1 P41146 2/20 0.39
DGAT2 Q96PD7 2/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
ADORA2A P29274 1/20 0.38
SYK P43405 1/20 0.38
HDAC1 Q13547 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL2272589 0.88 OPRL1 (0.39) OPRL1
SCHEMBL2272154 0.78 PSEN1 (0.39)
SCHEMBL2270102 0.75 JAK3 (0.58) CCNT1JAK2JAK3PTK2
SCHEMBL2274559 0.75 HPGDS (0.39) CCNT1ALDH1A1NPC1MAPTMAPK1
SCHEMBL2274562 0.75 HPGDS (0.39) CCNT1ALDH1A1NPC1MAPTMAPK1
SCHEMBL2272932 0.73 IDO1 (0.39) CCNT1ALDH1A1NPC1MAPTMAPK1
SCHEMBL2272930 0.73 IDO1 (0.39) CCNT1ALDH1A1NPC1MAPTMAPK1
SCHEMBL2272928 0.73 IDO1 (0.39) CCNT1ALDH1A1NPC1MAPTMAPK1
SCHEMBL1197418 0.69 CCNT1 (0.55) CCNT1DNMT3AALDH1A1NPC1MAPT
SCHEMBL31334054 0.68 CCNT1 (0.52) CCNT1DNMT3AMAPK1IDH1IDH2

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
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 CCNT1 3283/4885DNMT3A 3792/4885ALDH1A1 1444/4885

“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.