SCHEMBL12837201

SCHEMBL12837201

CCCCOc1cc(Br)c(C)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 2/20 0.37
ESR1 P03372 2/20 0.37
THRB P10828 3/20 0.36
THRA P10827 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35

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
SCHEMBL16631687 0.77 NPC1 (0.39) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL16631663 0.74 MAPT (0.35) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL4275011 0.74 LTA4H (0.48) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL1518231 0.72 NUDT1 (0.47) MAPTALDH1A1LMNATSHRL3MBTL1
SCHEMBL2457239 0.71 ALDH1A1 (0.49) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL4264141 0.70 MEN1 (0.43) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL27849505 0.68 GLA (0.42) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL2990823 0.68 CDK1 (0.46) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL15918541 0.68 ALDH1A1 (0.37) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL13113572 0.68 MAPT (0.63) MAPTKMT2AALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 MAPT 4287/4885KMT2A 3129/4885ALDH1A1 512/4885

“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.