SCHEMBL2274559

SCHEMBL2274559

CC(C)(C)OC(=O)N1CCC(NC(=S)NN2CC(O)CC(c3ccc(F)cc3Cl)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
OPRL1 P41146 2/20 0.39
EPHX2 P34913 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.38
CCNT1 O60563 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
STS P08842 2/20 0.37
DGAT2 Q96PD7 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2274562 1.00 HPGDS (0.39) HPGDSOPRL1EPHX2TP53LMNA
SCHEMBL2275637 0.88 OPRL1 (0.39) OPRL1EPHX2LMNAMEN1KMT2A
SCHEMBL2275642 0.88 OPRL1 (0.39) OPRL1EPHX2LMNAMEN1KMT2A
SCHEMBL2272928 0.81 IDO1 (0.39) HPGDSOPRL1EPHX2TP53LMNA
SCHEMBL2272932 0.81 IDO1 (0.39) HPGDSOPRL1EPHX2TP53LMNA
SCHEMBL2272930 0.81 IDO1 (0.39) HPGDSOPRL1EPHX2TP53LMNA
SCHEMBL2278504 0.75 CCNT1 (0.44) HPGDSOPRL1CCNT1STSDGAT2
SCHEMBL2271765 0.74 P2RX7 (0.35) OPRL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2273096 0.69 OPRL1 (0.38) OPRL1EPHX2LMNAMEN1KMT2A
SCHEMBL2273102 0.69 OPRL1 (0.38) OPRL1EPHX2LMNAMEN1KMT2A

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 3 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
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 HPGDS 2/4885OPRL1 520/4885EPHX2 438/4885

“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.