SCHEMBL10245112

SCHEMBL10245112

CCN1CCC(CNC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
EPHX2 P34913 1/20 0.41
HRH3 Q9Y5N1 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
HSD11B1 P28845 2/20 0.33
CACNA1I Q9P0X4 3/20 0.33
KCNH2 Q12809 2/20 0.33

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
SCHEMBL16745494 0.82 ACHE (0.41)
SCHEMBL13622460 0.82 HRH3 (0.40) EPHX1EPHX2HRH3SMN1; SMN2GNAO1
SCHEMBL14614920 0.82 GNAO1 (0.47) EPHX1EPHX2HRH3GNAI3GNAO1
SCHEMBL24170976 0.79 HRH3 (0.38) EPHX1EPHX2HRH3SMN1; SMN2GNAI3
SCHEMBL21214167 0.79 GNAI3 (0.51) GNAI3GNAO1GNAI1CACNA1IKCNH2
SCHEMBL10246565 0.79 GNAI3 (0.38) EPHX1EPHX2GNAI3GNAO1GNAI1
SCHEMBL23919190 0.79 CACNA1I (0.49) EPHX1EPHX2GNAI3GNAO1GNAI1
SCHEMBL14768720 0.79 GNAI3 (0.38) GNAI3GNAO1GNAI1CACNA1IKCNH2
SCHEMBL17010887 0.79 KDM1A (0.35) CACNA1IKCNH2
SCHEMBL4569282 0.79 NCF1 (0.46) HRH3GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 US disclosed
US-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2015-05-28 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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 (10 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 EPHX1 2251/4885EPHX2 2671/4885HRH3 2075/4885
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 EPHX1 323/4885EPHX2 270/4885HRH3 2154/4885
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 EPHX1 349/4885EPHX2 386/4885HRH3 1076/4885
US-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD7, BRD3 EPHX1 3234/4885EPHX2 3814/4885HRH3 419/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 EPHX1 2251/4885EPHX2 2671/4885HRH3 2075/4885
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B EPHX1 1663/4885EPHX2 1967/4885HRH3 1884/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B EPHX1 1663/4885EPHX2 1967/4885HRH3 1884/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B EPHX1 1663/4885EPHX2 1967/4885HRH3 1884/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 EPHX1 323/4885EPHX2 270/4885HRH3 2154/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 EPHX1 1924/4885EPHX2 2656/4885HRH3 3143/4885

“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.