SCHEMBL6900253

SCHEMBL6900253

CC(C)c1nc2n(n1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20854955 0.94 HRH4 (0.32) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL20909737 0.74 MEN1 (0.31) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL17131657 0.74 ALDH1A1 (0.35) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL2666680 0.74 ALDH1A1 (0.41) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL10236244 0.72 ALDH1A1 (0.44) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL13677314 0.72 HRH4 (0.40) HRH4
SCHEMBL2546676 0.71 ALDH1A1 (0.42) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL21672355 0.70 HTR2A (0.31)
SCHEMBL2492091 0.69 ALDH1A1 (0.45) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL18615155 0.69 ALDH1A1 (0.41) ALDH1A1MEN1MAPTBLMKMT2A

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
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 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 (3 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-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 ALDH1A1 1502/4885MEN1 2520/4885MAPT 309/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 ALDH1A1 1444/4885MEN1 2633/4885MAPT 582/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 ALDH1A1 180/4885MEN1 819/4885MAPT 1538/4885

“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.