SCHEMBL1790056

SCHEMBL1790056

O=C(Cc1ccc2c(c1)CCN(C1CCC1)CC2)Nc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.55
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MCHR1 Q99705 1/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
JAK2 O60674 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 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
SCHEMBL4770941 0.83 NPC1 (0.60) HRH3ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1788595 0.82 HRH3 (0.53) HRH3ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1786862 0.81 HRH3 (0.61) HRH3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1790059 0.80 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL5463689 0.79 NAMPT (0.54) HRH3SMN1; SMN2LMNAMCHR1USP2
SCHEMBL1789591 0.78 HRH3 (0.56) HRH3ALDH1A1CYP2D6LMNA
SCHEMBL1788937 0.78 HRH3 (0.52) HRH3HPGDSMN1; SMN2LMNATSHR
SCHEMBL1789359 0.78 ALDH1A1 (0.43) HRH3ALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL1790091 0.77 KMT2A (0.52) HRH3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL4767429 0.76 RAB9A (0.55) HRH3ALDH1A1SMN1; SMN2LMNAMAPT

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 3 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
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 HRH3 2/4885ALDH1A1 1526/4885HPGD 1107/4885

“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.