SCHEMBL233314

SCHEMBL233314

Cc1ccc(CBr)c(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
AMY1A P0DUB6 1/20 0.39
ALDH1A1 P00352 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
ACHE P22303 2/20 0.35
THRB P10828 2/20 0.35
MAPT P10636 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 1/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL9123696 0.86 TAAR1 (0.41) TAAR1CYP1A2CYP2A6AMY1AALDH1A1
SCHEMBL8142729 0.86 AMY1A (0.38) TAAR1CYP1A2CYP2A6AMY1AHTR2B
SCHEMBL9122973 0.83 TAAR1 (0.38) TAAR1CYP1A2CYP2A6AMY1AALDH1A1
SCHEMBL1721087 0.82 ALDH1A1 (0.46) TAAR1CYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL29783360 0.82 ALDH1A1 (0.46) TAAR1CYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL1050239 0.82 TAAR1 (0.56) TAAR1CYP1A2CYP2A6AMY1AALDH1A1
SCHEMBL3772270 0.80 HTR2A (0.41) TAAR1CYP1A2CYP2A6ALDH1A1HTR2A
SCHEMBL30806439 0.80 TAAR1 (0.39) TAAR1CYP1A2CYP2A6AMY1AALDH1A1
SCHEMBL30558293 0.80 HTR2A (0.41) TAAR1CYP1A2CYP2A6ALDH1A1HTR2A
SCHEMBL2291344 0.80 TAAR1 (0.39) TAAR1CYP1A2CYP2A6AMY1AALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686204-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2020-07-29 EP disclosed
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. 2017-12-07 US disclosed
EP-3192787-A1 METHOD FOR PRODUCING FULLERENE DERIVATIVE Showa Denko K.K. (JP) 2017-07-19 EP disclosed
US-20170197977-A9 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2017-07-13 US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 WO disclosed
US-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 US disclosed
US-20140378473-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 US disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
EP-2392555-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME Korea Research Institute of Chemical Technology (KRICT) (KR) 2011-12-07 EP disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
WO-2010087655-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME 한국화학연구원 (KR) 2010-08-05 WO disclosed
WO-2010087655-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME 한국화학연구원 (KR) 2010-08-05 WO disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1361219-A1 Herbicidal indanylalkylamino-1,3,5-triazines, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators Bayer CropScience GmbH (DE) 2003-11-12 EP disclosed
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 EP 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 (8 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-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 TAAR1 125/4885CYP1A2 3215/4885CYP2A6 4151/4885
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 TAAR1 224/4885CYP1A2 3046/4885CYP2A6 791/4885
US-20140378473-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, CHRNB2 TAAR1 74/4885CYP1A2 2700/4885CYP2A6 3898/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 TAAR1 3031/4885CYP1A2 4214/4885CYP2A6 3968/4885
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 TAAR1 125/4885CYP1A2 3215/4885CYP2A6 4151/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TAAR1 2120/4885CYP1A2 873/4885CYP2A6 838/4885
US-20170197977-A9 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, CHRNB2 TAAR1 74/4885CYP1A2 2700/4885CYP2A6 3898/4885
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same SCO2, VDAC2, TRPA1 TAAR1 4442/4885CYP1A2 465/4885CYP2A6 2479/4885

“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.