SCHEMBL17102307

SCHEMBL17102307

FC1(F)CCC(n2cccn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
ELOVL1 Q9BW60 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NOS1 P29475 2/20 0.33
PDE9A O76083 2/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MAPK8 P45983 1/20 0.30
USP9X Q93008 1/20 0.30
MAP3K12 Q12852 1/20 0.30

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
SCHEMBL21024952 0.85 LRRK2 (0.33) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL57030 0.81
Hydrochloric Acid SCHEMBL28314935 0.79
SCHEMBL13890730 0.77
SCHEMBL574344 0.77 EPHX2 (0.38) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL14722189 0.77 EPHX2 (0.33) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL2382273 0.75 EPHX2 (0.38) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL3434555 0.75 EPHX2 (0.38) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL29774585 0.75 CYP2D6 (0.37) EPHX2CYP2D6HRH1KCNH2LRRK2
SCHEMBL30066593 0.74 EPHX2 (0.41) EPHX2CYP2D6HRH1KCNH2ELOVL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
CN-110713489-A Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2020-01-21 CN disclosed
CN-106255689-B Heteroaryl SYK Inhibitors 勃林格殷格翰国际有限公司 2019-09-17 CN disclosed
CN-110183440-A Heteroaryl SYK inhibitor 勃林格殷格翰国际有限公司 2019-08-30 CN disclosed
EP-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
EP-3119765-A1 HETEROARYL SYK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-01-25 EP disclosed
CN-106255689-A Heteroaryl syk inhibitors 勃林格殷格翰国际有限公司 2016-12-21 CN disclosed
US-20160244446-A1 HETEROARYL SYK INHIBITORS EVOTEC (UK) LTD. (GB) 2016-08-25 US disclosed
US-20160244446-A1 HETEROARYL SYK INHIBITORS EVOTEC (UK) LTD. (GB) 2016-08-25 US disclosed
US-20160244446-A1 HETEROARYL SYK INHIBITORS EVOTEC (UK) LTD. (GB) 2016-08-25 US disclosed
WO-2015140054-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO disclosed
WO-2015140051-A1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO disclosed
WO-2015140054-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO disclosed
WO-2015140051-A1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO disclosed
CN-102227425-A Azaindazole compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2011-10-26 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-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 EPHX2 1466/4885CYP2D6 2124/4885HRH1 61/4885
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 EPHX2 1579/4885CYP2D6 4347/4885HRH1 698/4885
US-20160244446-A1 HETEROARYL SYK INHIBITORS SYK, BTK, IRAK1 EPHX2 1810/4885CYP2D6 2002/4885HRH1 62/4885

“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.