SCHEMBL6712293

SCHEMBL6712293

CCC(=O)c1cc(OC)ccc1-c1ccc2c(c1)CC1CCNCCN21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.57
HTR2A P28223 12/20 0.48
HTR2B P41595 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 2/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 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
SCHEMBL6714155 0.93 HTR2C (0.57) HTR2CHTR2AHTR2BHTR6
SCHEMBL6715710 0.90 HTR2C (0.55) HTR2CHTR2AHTR2BSMN1; SMN2HTR6
SCHEMBL6715773 0.86 HTR2C (0.62) HTR2CHTR2AHTR2BHTR6HTR3E
SCHEMBL6713630 0.83 HTR2C (0.63) HTR2CHTR2AHTR2BHTR6HTR3E
SCHEMBL6714412 0.83 HTR2C (0.58) HTR2CHTR2AHTR2BHTR6HTR3E
SCHEMBL6711527 0.83 HTR2C (0.59) HTR2CHTR2AHTR2BHTR6HTR3E
SCHEMBL6714269 0.83 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL6715359 0.82 HTR2C (0.55) HTR2CHTR2AHTR2BSMN1; SMN2HTR6
SCHEMBL6710916 0.82 HTR2C (0.57) HTR2CHTR2AHTR2BHTR6HTR3E
SCHEMBL6715401 0.82 HTR2C (0.59) HTR2CHTR2AHTR2BHTR6HTR3E

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-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
EP-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP 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
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 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 (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 HTR2C 7/4885HTR2A 18/4885HTR2B 15/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885HTR2B 692/4885

“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.