SCHEMBL6531341

SCHEMBL6531341

COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 4/20 0.48
MPO P05164 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KAT2B Q92831 1/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
S1PR2 O95136 1/20 0.45
POLB P06746 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 0.92 PTGDR2 (0.56) HDAC1HDAC6MAPTPTGDR2MEN1
SCHEMBL6475604 0.91 HDAC1 (0.49) SMN1; SMN2LMNAHDAC1HDAC6MAPT
SCHEMBL7219447 0.88 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMAPTMPOPTGDR2
SCHEMBL6475596 0.87 ALDH1A1 (0.44) SMN1; SMN2LMNAMAPTMPOPTGDR2
SCHEMBL6484797 0.85 HDAC1 (0.49) HDAC1HDAC6MAPTMPOPTGDR2
SCHEMBL6474856 0.83 ALDH1A1 (0.44) SMN1; SMN2MAPTMPOMEN1KMT2A
SCHEMBL6474937 0.82 HDAC1 (0.50) LMNAHDAC1HDAC6MAPTPTGDR2
SCHEMBL6482626 0.82 PTGDR2 (0.64) HDAC1HDAC6PTGDR2MEN1KMT2A
SCHEMBL6480662 0.81 LMNA (0.51) SMN1; SMN2LMNAHDAC1HDAC6MAPT
SCHEMBL6482888 0.81 HDAC1 (0.55) HDAC1HDAC6PTGDR2MEN1KMT2A

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 SMN1; SMN2 1296/4885LMNA 4162/4885HDAC1 2029/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 SMN1; SMN2 1106/4885LMNA 4136/4885HDAC1 2371/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E SMN1; SMN2 1296/4885LMNA 4162/4885HDAC1 2029/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 SMN1; SMN2 1106/4885LMNA 4136/4885HDAC1 2371/4885

“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.