SCHEMBL6713601

SCHEMBL6713601

COCc1cc(OC)ccc1-c1ccc2cc3n(c2c1)CCNCC3

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.54
HTR2C P28335 5/20 0.54
HTR1A P08908 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SYK P43405 2/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
ADRB1 P08588 3/20 0.37
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR7 P34969 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL6711194 0.92 HTR2A (0.54) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6714279 0.91 HTR2A (0.55) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6718463 0.90 HTR2A (0.52) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6719010 0.90 HTR2A (0.54) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6711320 0.85 HTR2A (0.58) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6715798 0.85 HTR2A (0.58) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6810581 0.85 HTR2A (0.48) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6713937 0.84 HTR2A (0.57) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6711216 0.84 HTR2A (0.57) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL6711314 0.84 HTR2A (0.47) HTR2AHTR2CHTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US disclosed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 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 (2 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-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E HTR2A 18/4885HTR2C 7/4885HTR1A 2/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885HTR1A 855/4885

“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.