SCHEMBL1787644

SCHEMBL1787644

Cc1nn(C)cc1CNC(=O)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.44
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL1787362 0.89 TP53 (0.52) ALDH1A1RAB9AKMT2AMAPTTP53
SCHEMBL1786312 0.83 RAB9A (0.42) ALDH1A1USP2RAB9ANPC1KMT2A
SCHEMBL1789970 0.83 ROCK2 (0.49) USP2KMT2AMAPTMEN1TP53
SCHEMBL1789905 0.82 ROCK2 (0.48) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL1787686 0.82 NAMPT (0.49) ALDH1A1KMT2AHPGDMAPTMEN1
SCHEMBL1787247 0.82 KMT2A (0.37) KMT2AMAPTTP53
SCHEMBL1792607 0.82 ROCK2 (0.48) ALDH1A1USP2RAB9ANPC1KMT2A
SCHEMBL1788120 0.81 HDAC6 (0.37) ALDH1A1USP2RAB9ANPC1KMT2A
SCHEMBL1787641 0.81 ALDH1A1 (0.53) ALDH1A1USP2RAB9ANPC1KMT2A
SCHEMBL1787618 0.80 ROCK2 (0.46) USP2RAB9ANPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 ALDH1A1 1526/4885USP2 2899/4885RAB9A 2688/4885

“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.