SCHEMBL6715469

SCHEMBL6715469

COc1ccc(NCC(=O)c2c3n(c4ccccc24)CCNCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.55
HTR2C P28335 7/20 0.55
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HTR6 P50406 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 2/20 0.37
KDM4E B2RXH2 1/20 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
Hydrochloric Acid SCHEMBL6714574 0.99 HTR2A (0.54) HTR2AHTR2CMAPTALDH1A1HTR6
SCHEMBL6711392 0.85 HTR2A (0.58) HTR2AHTR2CMAPTALDH1A1HTR6
SCHEMBL6715495 0.83 HTR2A (0.60) HTR2AHTR2CMAPTHTR6SMN1; SMN2
SCHEMBL6715548 0.79 HTR2A (0.49) HTR2AHTR2CMAPTALDH1A1HTR6
SCHEMBL6711408 0.78 ALDH1A1 (0.48) HTR2AHTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL6714043 0.78 HTR2A (0.55) HTR2AHTR2CALDH1A1HTR6KMT2A
Hydrochloric Acid SCHEMBL6715813 0.78 HTR2A (0.48) HTR2AHTR2CMAPTALDH1A1HTR6
SCHEMBL6714220 0.77 HTR2A (0.59) HTR2AHTR2CMAPTALDH1A1KMT2A
SCHEMBL6715394 0.77 HTR2A (0.58) HTR2AHTR2CMAPTALDH1A1HTR6
SCHEMBL6716128 0.77 HTR2C (0.61) HTR2AHTR2CMAPTALDH1A1HTR6

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 5 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-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 7/4885MAPT 2943/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885MAPT 3309/4885

“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.