SCHEMBL807343

SCHEMBL807343

c1ccc2c(C3CCCC3)c[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.74
ADRB2 P07550 1/20 0.74
ADRA1D P25100 4/20 0.60
KDM4E B2RXH2 2/20 0.59
ATM Q13315 1/20 0.59
BRD4 O60885 1/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
CREBBP Q92793 1/20 0.59
HTR2A P28223 3/20 0.56
HTR2B P41595 3/20 0.56

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
SCHEMBL2910862 0.98 HTR2C (0.72) HTR2CADRB2ADRA1DKDM4EATM
SCHEMBL28594057 0.96 HTR2C (0.74) HTR2CADRB2ADRA1DKDM4EATM
SCHEMBL734917 0.92 HTR2C (0.79) HTR2CADRB2ADRA1DKDM4EATM
SCHEMBL373923 0.85 HTR2C (1.00) HTR2CADRB2ADRA1DKDM4EATM
SCHEMBL29502102 0.85 HTR2C (1.00) HTR2CADRB2ADRA1DKDM4EATM
SCHEMBL6637446 0.85 HTR2C (0.70) HTR2CADRB2ADRA1DKDM4EATM
SCHEMBL1601125 0.84 HTR2C (0.68) HTR2CADRB2ADRA1DKDM4EATM
Hydrochloric Acid SCHEMBL31285949 0.84 HTR2C (1.00) HTR2CADRB2ADRA1DKDM4EATM
Methane SCHEMBL10788775 0.84 HTR2C (0.97) HTR2CADRB2ADRA1DKDM4EATM
SCHEMBL27779740 0.84 HTR2C (0.68) HTR2CADRB2ADRA1DKDM4EATM

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
CN-108101830-B A kind of 3- replaces the preparation method of Oxoindole and derivative 中国科学院成都生物研究所 2019-08-23 CN disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
WO-2012036315-A1 METHOD OF FORMING PATTERN FUJIFILM CORPORATION (JP) 2012-03-22 WO disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
CN-100569863-C Indoline-like photosensitive dyestuff and uses thereof UNIV EAST CHINA SCIENCE & TECH (CN) 2009-12-16 CN disclosed
CN-101165103-A Indoline-like photosensitive dyestuff and application thereof EAST CHINA UNIVERSITY OF TECHN (CN) 2008-04-23 CN 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 (3 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-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR2C 3/4885ADRB2 210/4885ADRA1D 275/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR2C 3/4885ADRB2 210/4885ADRA1D 275/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR2C 3/4885ADRB2 210/4885ADRA1D 275/4885

“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.