SCHEMBL536135

SCHEMBL536135

[CH2]COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
TSHR P16473 3/20 0.55
LMNA P02545 1/20 0.55
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
F2 P00734 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GRM5 P41594 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 2/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL73974 0.86 CHRNB2 (0.66) CHRNB2CHRNA4TSHRLMNACHRNB4
SCHEMBL16178929 0.85 CHRNB2 (0.64) CHRNB2CHRNA4TSHRLMNACHRNB4
SCHEMBL15498199 0.85 CHRNB2 (0.73) CHRNB2CHRNA4TSHRLMNACHRNB4
SCHEMBL441388 0.85 CHRNB2 (0.64) CHRNB2CHRNA4TSHRLMNACHRNB4
Hydrochloric Acid SCHEMBL10551171 0.84 CHRNB2 (0.62) CHRNB2CHRNA4TSHRLMNACHRNB4
Hydrochloric Acid SCHEMBL10551164 0.84 CHRNB2 (0.62) CHRNB2CHRNA4TSHRLMNACHRNB4
Hydrochloric Acid SCHEMBL10551173 0.84 CHRNB2 (0.62) CHRNB2CHRNA4TSHRLMNACHRNB4
SCHEMBL3024102 0.83 CHRNB2 (0.62) CHRNB2CHRNA4TSHRLMNACHRNB4
SCHEMBL8778512 0.82 CHRNB2 (0.61) CHRNB2CHRNA4TSHRLMNACHRNB4
SCHEMBL7468554 0.82 CHRNB2 (0.61) CHRNB2CHRNA4TSHRLMNACHRNB4

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 75 patents — showing the first 20. 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 claimed
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 claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
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 claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
CN-105102456-A Azaquinazoline inhibitors of atypical protein kinase C IGNYTA INC 2015-11-25 CN disclosed
CN-102796075-B Benzocycloheptenes derivative as well as preparation method and medical application thereof INST PHARM & TOXICOLOGY AMMS 2014-03-12 CN disclosed
CN-101481323-B Benzocycloheptenes derivatives, preparation method and medical application thereof POISON MED INST PLA MED ACAD 2013-11-20 CN disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN disclosed
CN-1143361-A Phenylacetic acid derivatives, their preparation and intermediates, and compositions containing them BASF AG (DE) 1997-02-19 CN disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 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 CHRNB2 201/4885CHRNA4 69/4885TSHR 103/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 CHRNB2 200/4885CHRNA4 51/4885TSHR 134/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E CHRNB2 201/4885CHRNA4 69/4885TSHR 103/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CHRNB2 200/4885CHRNA4 51/4885TSHR 134/4885

“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.