SCHEMBL6718474

SCHEMBL6718474

Cc1c(Cl)cccc1NC(=O)C(=O)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.58
HTR2C P28335 7/20 0.58
MT-CO2 P00403 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 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
SCHEMBL6715593 0.90 HTR2A (0.60) HTR2AHTR2CSMN1; SMN2MAPTLMNA
SCHEMBL6713950 0.90 HTR2A (0.60) HTR2AHTR2CMAPTLMNARAB9A
SCHEMBL6715431 0.87 HTR2A (0.64) HTR2AHTR2CRXFP1
SCHEMBL6718698 0.86 HTR2A (0.57) HTR2AHTR2CTRPV1RAB9A
SCHEMBL6713671 0.85 HTR2A (0.64) HTR2AHTR2CSMN1; SMN2RAB9AHSD17B10
SCHEMBL6713947 0.83 HTR2A (0.61) HTR2AHTR2CMAPT
SCHEMBL6712815 0.83 HTR2A (0.64) HTR2AHTR2CSMN1; SMN2MAPTLMNA
SCHEMBL6718705 0.83 HTR2C (0.58) HTR2AHTR2CTP53MAPTLMNA
SCHEMBL6711021 0.83 HTR2A (0.61) HTR2AHTR2CSMN1; SMN2TRPV1TP53
SCHEMBL6712404 0.82 HTR2C (0.60) HTR2AHTR2CTRPV1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US claimed
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-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 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 HTR2A 18/4885HTR2C 7/4885MT-CO2 2594/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885MT-CO2 283/4885

“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.