SCHEMBL4765422

SCHEMBL4765422

COc1ccccc1/C=C/CN(C(=O)C(F)(F)F)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 6/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
TACR1 P25103 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL4774195 0.88 HRH3 (0.37) DRD2DRD3HRH3CYP2D6
SCHEMBL4774478 0.85 HRH3 (0.41) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL4766888 0.85 KCNH2 (0.42) DRD2DRD3HRH3CYP2D6
SCHEMBL4771951 0.85 DRD2 (0.41) DRD2DRD3MAPTHRH3CYP2D6
SCHEMBL4768001 0.83 HRH3 (0.36) DRD2DRD3NPC1RAB9AHRH3
SCHEMBL4770272 0.81 DRD2 (0.38) DRD2DRD3KDM4EMAPTNPC1
SCHEMBL4775800 0.79 FKBP1A (0.44) KDM4EALDH1A1KMT2AHRH3CYP2D6
Trifluoroacetic Acid SCHEMBL4765419 0.74 MAPT (0.66) DRD2DRD3KDM4EMAPTLMNA
Trifluoroacetic Acid SCHEMBL4765425 0.74 MAPT (0.66) DRD2DRD3KDM4EMAPTLMNA
SCHEMBL4767950 0.73 HRH3 (0.48) HRH3CYP2D6

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
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 DRD2 78/4885DRD3 118/4885KDM4E 488/4885

“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.