SCHEMBL2269162

SCHEMBL2269162

Nc1ccn(Cc2cccc(F)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
ALDH1A1 P00352 4/20 0.68
TDP1 Q9NUW8 1/20 0.68
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
DBH P09172 1/20 0.43
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL19086961 0.81 ALDH1A1 (1.00) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL2276119 0.81 ALDH1A1 (0.68) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL19086906 0.80 L3MBTL1 (0.67) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL2271144 0.80 L3MBTL1 (0.66) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL634581 0.79 ALDH1A1 (0.65) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL17316676 0.79 L3MBTL1 (0.65) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL1065891 0.77 ALDH1A1 (0.62) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL19086943 0.77 ALDH1A1 (0.67) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL27765383 0.77 ALDH1A1 (0.67) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL2272722 0.77 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
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 L3MBTL1 705/4885ALDH1A1 1444/4885TDP1 998/4885

“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.