SCHEMBL6475499

SCHEMBL6475499

Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCNCC3)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
RAB9A P51151 2/20 0.58
TSHR P16473 2/20 0.58
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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 SCHEMBL6481880 0.99 LMNA (0.57) LMNARAB9ATSHRKMT2AMAPT
Hydrochloric Acid SCHEMBL6482994 0.89 SMN1; SMN2 (0.49) LMNARAB9ATSHRKMT2AMAPT
Hydrochloric Acid SCHEMBL6475601 0.87 TP53 (0.44) LMNARAB9ATSHRKMT2AMAPT
SCHEMBL6481480 0.86 LMNA (0.45) LMNARAB9ATSHRKMT2AMAPT
Hydrochloric Acid SCHEMBL6481027 0.85 LMNA (0.44) LMNARAB9ATSHRKMT2AMAPT
SCHEMBL6484850 0.84 LMNA (0.56) LMNARAB9ATSHRKMT2AMAPT
Hydrochloric Acid SCHEMBL6481091 0.84 KDM4E (0.50) LMNATSHRKMT2APOLBSMN1; SMN2
SCHEMBL6481021 0.84 LMNA (0.44) LMNARAB9ATSHRKMT2AMAPT
SCHEMBL6484654 0.82 LMNA (0.46) LMNARAB9ATSHRKMT2AMAPT
SCHEMBL6483082 0.82 KMT2A (0.44) LMNARAB9ATSHRKMT2AMAPT

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-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 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 (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-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E LMNA 4162/4885RAB9A 698/4885TSHR 103/4885

“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.