SCHEMBL1787641

SCHEMBL1787641

Cc1nn(C)cc1CNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HRH3 Q9Y5N1 10/20 0.48
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
HRH1 P35367 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1787359 0.89 TP53 (0.52) ALDH1A1HRH3TSHRKMT2AHRH1
SCHEMBL1786310 0.83 HRH3 (0.48) HRH3KMT2AHRH1KDM2BNPC1
SCHEMBL1789968 0.83 ROCK2 (0.51) HRH3HRH1KDM2B
SCHEMBL1789900 0.82 ROCK2 (0.50) HRH3HRH1NPC1RAB9A
SCHEMBL1787684 0.82 NAMPT (0.49) HRH3HRH1KDM2B
SCHEMBL1787243 0.82 HRH3 (0.48) HRH3HRH1KDM2B
SCHEMBL1792605 0.82 SLC5A7 (0.50) ALDH1A1HRH3USP2LMNATSHR
SCHEMBL1787644 0.81 ALDH1A1 (0.53) ALDH1A1USP2LMNATSHRKMT2A
SCHEMBL1787617 0.80 HRH3 (0.49) HRH3HRH1KDM2BMAPT
SCHEMBL1788118 0.80 HRH3 (0.49) HRH3HRH1KDM2B

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
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 ALDH1A1 1526/4885HRH3 2/4885USP2 2899/4885

“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.