SCHEMBL2268882

SCHEMBL2268882

Cc1nc(N)nn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
HSD11B1 P28845 1/20 0.40
OPRL1 P41146 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL28164190 0.83 ALDH1A1 (0.43) HTTL3MBTL1LMNAHSP90AA1HSP90AB1
SCHEMBL12180309 0.83 LMNA (0.49) HTTL3MBTL1KDM4ELMNAOPRM1
SCHEMBL3691501 0.82 HSP90AA1 (0.48) HTTKDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL20535649 0.81 LMNA (0.47) HTTL3MBTL1KDM4ELMNAOPRM1
SCHEMBL10729168 0.76 HTT (0.80) HTTL3MBTL1KDM4ELMNACNR2
SCHEMBL31324272 0.75 LMNA (0.51) L3MBTL1LMNAOPRM1OPRD1OPRK1
SCHEMBL11652491 0.75 LMNA (0.51) L3MBTL1LMNAOPRM1OPRD1OPRK1
SCHEMBL11728537 0.74 MAPT (0.44) HTTL3MBTL1KDM4ELMNAALDH1A1
SCHEMBL10849530 0.73 LMNA (0.52) HTTL3MBTL1KDM4ELMNACNR2
SCHEMBL3685546 0.71 KDM4E (0.51) HTTL3MBTL1KDM4ELMNAOPRM1

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 9 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
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US 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
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 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 (2 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-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS BACE1, APH1A, APP HTT 88/4885L3MBTL1 1473/4885KDM4E 4227/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 HTT 9/4885L3MBTL1 705/4885KDM4E 3666/4885

“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.