SCHEMBL6481966

SCHEMBL6481966

Cc1cccc(NC(=O)Cn2c3c(c4cc(Cl)cc(Cl)c42)CCNCC3)c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
LMNA P02545 5/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
MITF O75030 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
GUSB P08236 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6481021 0.87 LMNA (0.44) TSHRLMNARAB9ARECQLKMT2A
SCHEMBL6475086 0.86 LMNA (0.46) TSHRLMNAKMT2AMAPTTP53
SCHEMBL6481480 0.86 LMNA (0.45) TSHRLMNARAB9ARECQLKMT2A
SCHEMBL6484654 0.86 LMNA (0.46) TSHRLMNARAB9ARECQLKMT2A
Hydrochloric Acid SCHEMBL6481027 0.85 LMNA (0.44) TSHRLMNARAB9ARECQLKMT2A
SCHEMBL6473907 0.85 KMT2A (0.42) TSHRLMNARAB9ARECQLKMT2A
SCHEMBL6475499 0.82 LMNA (0.58) TSHRLMNARAB9ARECQLKMT2A
Hydrochloric Acid SCHEMBL6481880 0.81 LMNA (0.57) TSHRLMNARAB9ARECQLKMT2A
SCHEMBL6473320 0.81 HPGD (0.46) TSHRLMNAKMT2AMAPTTP53
SCHEMBL6483082 0.80 KMT2A (0.44) TSHRLMNARAB9ARECQLKMT2A

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 TSHR 103/4885LMNA 4162/4885RAB9A 698/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 TSHR 134/4885LMNA 4136/4885RAB9A 751/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E TSHR 103/4885LMNA 4162/4885RAB9A 698/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 TSHR 134/4885LMNA 4136/4885RAB9A 751/4885

“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.