SCHEMBL679055

SCHEMBL679055

CN(C)CCCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HRH3 Q9Y5N1 5/20 0.61
LSS P48449 1/20 0.59
KCNH2 Q12809 1/20 0.56
POLB P06746 1/20 0.51
CACNA1B Q00975 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
SCHEMBL10176267 0.91 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HRH3POLB
SCHEMBL9671156 0.86 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL20234326 0.84 HRH3 (0.61) KDM4EALDH1A1SMN1; SMN2HRH3POLB
SCHEMBL22248702 0.84 HRH3 (0.62) KDM4EALDH1A1SMN1; SMN2HRH3POLB
SCHEMBL22831358 0.83 KCNH2 (0.53) KDM4ESMN1; SMN2HRH3KCNH2POLB
SCHEMBL678933 0.82 KDM4E (0.55) KDM4EHRH3POLB
SCHEMBL22248703 0.82 HRH3 (0.65) KDM4EALDH1A1SMN1; SMN2HRH3POLB
SCHEMBL16417742 0.82 FDPS (0.49) KDM4EALDH1A1SMN1; SMN2HRH3KCNH2
SCHEMBL2443860 0.81 HRH3 (0.54) KDM4EALDH1A1SMN1; SMN2HRH3POLB
SCHEMBL9593021 0.80 HRH3 (0.57) KDM4ESMN1; SMN2HRH3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2021-10-07 US disclosed
US-10980794-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2021-04-20 US disclosed
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-06 US disclosed
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 US disclosed
US-20190300506-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-10-03 US disclosed
US-10391089-B2 PRMT5 inhibitors and uses therof Epizyme, Inc. (US) 2019-08-27 US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-09-10 US disclosed
US-8993555-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-03-31 US disclosed
US-8940896-B2 Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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 (15 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-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 36/4885ALDH1A1 2460/4885SMN1; SMN2 952/4885
US-20190300506-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF STS, SLC5A2, SULT2A1 KDM4E 2412/4885ALDH1A1 813/4885SMN1; SMN2 1251/4885
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 36/4885ALDH1A1 2460/4885SMN1; SMN2 952/4885
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 KDM4E 3982/4885ALDH1A1 3279/4885SMN1; SMN2 4806/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 36/4885ALDH1A1 1890/4885SMN1; SMN2 1715/4885
US-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 KDM4E 98/4885ALDH1A1 3384/4885SMN1; SMN2 1132/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 33/4885ALDH1A1 2705/4885SMN1; SMN2 1466/4885
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 KDM4E 2789/4885ALDH1A1 749/4885SMN1; SMN2 3499/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 KDM4E 36/4885ALDH1A1 1890/4885SMN1; SMN2 1715/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 36/4885ALDH1A1 2460/4885SMN1; SMN2 952/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4E 33/4885ALDH1A1 2426/4885SMN1; SMN2 1018/4885
US-10980794-B2 PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT6 KDM4E 36/4885ALDH1A1 2460/4885SMN1; SMN2 952/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 33/4885ALDH1A1 2705/4885SMN1; SMN2 1466/4885
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof STS, SULT2A1, CYP2A13 KDM4E 2911/4885ALDH1A1 579/4885SMN1; SMN2 1299/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 36/4885ALDH1A1 2021/4885SMN1; SMN2 1613/4885

“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.