SCHEMBL6484797

SCHEMBL6484797

Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 6/20 0.47
MPO P05164 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CTDSP1 Q9GZU7 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
SCHEMBL6474119 0.91 PTGDR2 (0.56) HDAC1HDAC6MAPTPTGDR2ALDH1A1
SCHEMBL7220006 0.87 MAPT (0.54) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL6474937 0.87 HDAC1 (0.50) HDAC1HDAC6MAPTPTGDR2KMT2A
SCHEMBL6482074 0.85 HDAC1 (0.49) HDAC1HDAC6MAPTPTGDR2ALDH1A1
SCHEMBL6531341 0.85 SMN1; SMN2 (0.52) HDAC1HDAC6MAPTMPOPTGDR2
SCHEMBL6480662 0.84 LMNA (0.51) HDAC1HDAC6MAPTPTGDR2ALDH1A1
SCHEMBL8068709 0.82 PTGDR2 (0.52) HDAC1HDAC6MAPTPTGDR2ALDH1A1
SCHEMBL6475946 0.81 HDAC1 (0.44) HDAC1HDAC6MAPTPTGDR2ALDH1A1
SCHEMBL6482626 0.81 PTGDR2 (0.64) HDAC1HDAC6PTGDR2KMT2AMEN1
SCHEMBL6482888 0.80 HDAC1 (0.55) HDAC1HDAC6PTGDR2KMT2AMEN1

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 7 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-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

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 HDAC1 2029/4885HDAC6 2272/4885CYP1A2 274/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HDAC1 2371/4885HDAC6 2415/4885CYP1A2 289/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HDAC1 2029/4885HDAC6 2272/4885CYP1A2 274/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HDAC1 2371/4885HDAC6 2415/4885CYP1A2 289/4885

“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.