SCHEMBL2276119

SCHEMBL2276119

Nc1ccn(Cc2cccc(Cl)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNA1C Q13936 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
PNMT P11086 1/20 0.46

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
SCHEMBL634581 0.83 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1CACNA1GCACNA1H
SCHEMBL1569200 0.81 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1CACNA1GCACNA1H
SCHEMBL19086961 0.81 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1CACNA1GCACNA1H
SCHEMBL2269162 0.81 L3MBTL1 (1.00) ALDH1A1TDP1L3MBTL1CYP11B1CYP11B2
SCHEMBL1866336 0.79 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL17316860 0.78 L3MBTL1 (0.60) ALDH1A1TDP1L3MBTL1CACNA1GCACNA1H
SCHEMBL19086943 0.77 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL16347294 0.77 CACNA1G (0.50) ALDH1A1TDP1L3MBTL1CACNA1GCACNA1H
SCHEMBL27765383 0.77 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1CACNA1GCACNA1H
SCHEMBL19086906 0.77 L3MBTL1 (0.67) ALDH1A1TDP1L3MBTL1LMNAMEN1

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-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
CN-102209537-A Heterocyclic gamma secretase modulators HOFFMANN LA ROCHE 2011-10-05 CN 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 ALDH1A1 3285/4885TDP1 390/4885L3MBTL1 1473/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 ALDH1A1 1444/4885TDP1 998/4885L3MBTL1 705/4885

“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.