SCHEMBL1780598

SCHEMBL1780598

CCOc1ccc(CN2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
SIGMAR1 Q99720 1/20 0.56
CXCR4 P61073 7/20 0.56
TDP1 Q9NUW8 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
MEN1 O00255 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA2C P18825 1/20 0.56
CCR2 P41597 1/20 0.56
CXCL12 P48061 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2B P41595 1/20 0.51
FAAH O00519 1/20 0.50

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
Hydrochloric Acid SCHEMBL2235571 0.94 TSHR (0.56) KDM4ESIGMAR1CXCR4TDP1HRH3
SCHEMBL2236278 0.94 HRH3 (0.60) KDM4ESIGMAR1CXCR4TDP1HRH3
SCHEMBL2231797 0.91 TSHR (0.54) KDM4ESIGMAR1CXCR4TDP1HRH3
SCHEMBL14872735 0.87 TSHR (0.72) SIGMAR1CXCR4TDP1HRH3MEN1
SCHEMBL17696112 0.83 TSHR (0.67) CXCR4TDP1HRH3MEN1CHRM2
SCHEMBL18181949 0.83 KDM4E (0.69) KDM4ETDP1MEN1KMT2ATSHR
SCHEMBL28192269 0.83 TSHR (0.76) KDM4EHRH3TSHR
SCHEMBL592479 0.83 SIGMAR1 (0.67) SIGMAR1CXCR4TDP1HRH3MEN1
SCHEMBL28451435 0.82 KDM4E (0.47) KDM4ETDP1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL2234520 0.81 CXCR4 (0.62) SIGMAR1CXCR4TDP1HRH3MEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
EP-3053911-A1 ADIPONECTIN RECEPTOR-ACTIVATING COMPOUND The University of Tokyo (JP) 2016-08-10 EP disclosed
US-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2016-07-28 US disclosed
US-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2016-07-28 US disclosed
CN-103724296-B Piperazine carbonyl derivative that aryl replaces and its preparation method and application NANJING MEDICAL UNIVERSITY (CN) 2015-09-02 CN disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO disclosed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US disclosed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP disclosed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
CN-103724296-A Aryl substituted piperazine carbonyl derivative as well as preparation method and application thereof UNIV NANJING MEDICAL 2014-04-16 CN disclosed
US-8680097-B2 Benzothiophene alkanol piperazine derivatives and their use as antidepressant CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO. LTD. (CN) 2014-03-25 US disclosed
US-20110118263-A1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO. LTD. (CN) 2011-05-19 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 (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-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR KDM4E 3174/4885SIGMAR1 1649/4885CXCR4 208/4885
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC KDM4E 2405/4885SIGMAR1 1951/4885CXCR4 3079/4885
US-20110118263-A1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT TPH1, HTR1A, TPH2 KDM4E 641/4885SIGMAR1 57/4885CXCR4 1469/4885

“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.