SCHEMBL6484803

SCHEMBL6484803

CCc1cccc(NC(=O)Cn2c3c(c4ccc(Cl)c(Cl)c42)CCNCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 4/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6473320 0.88 HPGD (0.46) MAPTHPGDMAPK1RXFP1ALDH1A1
SCHEMBL6474713 0.87 HPGD (0.47) MAPTHPGDMAPK1RXFP1ALDH1A1
SCHEMBL6474770 0.87 KCNJ6 (0.46) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL6482319 0.87 NOD1 (0.40) MAPTHPGDALDH1A1TSHRMEN1
SCHEMBL3244235 0.86 HPGD (0.46) MAPTHPGDMAPK1RXFP1ALDH1A1
SCHEMBL6476143 0.85 HPGD (0.47) MAPTHPGDMAPK1RXFP1ALDH1A1
SCHEMBL3231715 0.82 RXFP1 (0.48) MAPTHPGDMAPK1RXFP1ALDH1A1
SCHEMBL6481021 0.80 LMNA (0.44) MAPTHPGDMAPK1ALDH1A1TSHR
SCHEMBL6474948 0.78 LMNA (0.46) MAPTHPGDALDH1A1TSHRMEN1
SCHEMBL6482924 0.75 NOD1 (0.38) MAPTHPGDALDH1A1DRD4DRD2

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 10 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-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE 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 (4 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E MAPT 2666/4885HPGD 2106/4885MAPK1 2470/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 MAPT 2537/4885HPGD 2904/4885MAPK1 2169/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E MAPT 2666/4885HPGD 2106/4885MAPK1 2470/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 MAPT 2537/4885HPGD 2904/4885MAPK1 2169/4885

“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.