SCHEMBL6580086

SCHEMBL6580086

C[C@@H]([C@H](O)c1ccccc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 1/20 0.56
KCNA5 P22460 2/20 0.51
GRIN2B Q13224 6/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2D O15399 3/20 0.50
GRIN2A Q12879 3/20 0.50
GRIN2C Q14957 3/20 0.50
GRIN3B O60391 2/20 0.50
CYP2D6 P10635 2/20 0.50
KCNH2 Q12809 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
ADRA2A P08913 5/20 0.48
HTR2A P28223 5/20 0.48
ADRA1A P35348 5/20 0.48
HTR2B P41595 4/20 0.48
SIGMAR1 Q99720 3/20 0.48
HTR1A P08908 2/20 0.48

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
SCHEMBL15196695 1.00 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRCYP2C19KCNA5
SCHEMBL12568682 1.00 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRCYP2C19KCNA5
SCHEMBL514982 1.00 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRCYP2C19KCNA5
SCHEMBL21758873 0.84 CYP2D6 (0.54) CYP3A4TSHRCYP2C19KCNA5GRIN2B
SCHEMBL6577097 0.84 GRIN2B (0.54) CYP3A4TSHRCYP2C19KCNA5GRIN2B
SCHEMBL597166 0.84 CYP2D6 (0.54) CYP3A4TSHRCYP2C19KCNA5GRIN2B
SCHEMBL523547 0.84 CYP2D6 (0.54) CYP3A4TSHRCYP2C19KCNA5GRIN2B
SCHEMBL21093474 0.84 CYP2D6 (0.54) CYP3A4TSHRCYP2C19KCNA5GRIN2B
SCHEMBL21093518 0.84 GRIN2B (0.54) CYP3A4TSHRCYP2C19KCNA5GRIN2B
SCHEMBL2712368 0.84 CYP2D6 (0.54) CYP3A4TSHRCYP2C19KCNA5GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197421-A1 MCL1 INHIBITORS GILEAD SCIENCES, INC. 2025-06-19 US disclosed
US-12202842-B2 MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2025-01-21 US disclosed
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
CN-114867530-B MCL1 inhibitors 吉利德科学公司 2024-08-16 CN disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 US disclosed
US-20230348494-A1 MCL1 INHIBITORS GILEAD SCIENCES, INC. 2023-11-02 US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 US disclosed
US-11667652-B2 MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-06-06 US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
US-20190016736-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-01-17 US disclosed
EP-3424931-A2 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN Amgen, Inc (US) 2019-01-09 EP disclosed
EP-3186259-B1 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2018-12-19 EP disclosed
US-10100063-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2018-10-16 US disclosed
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-11 US disclosed
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-03-30 US disclosed
US-9562061-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2017-02-07 US disclosed
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-10 US disclosed
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 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 (14 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-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 CYP3A4 4129/4885ALDH1A1 1575/4885TSHR 4722/4885
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 CYP3A4 4076/4885ALDH1A1 1431/4885TSHR 4745/4885
US-12202842-B2 MCL1 inhibitors MCL1, BCL2L1, BCLAF1 CYP3A4 4386/4885ALDH1A1 887/4885TSHR 4537/4885
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A CYP3A4 245/4885ALDH1A1 145/4885TSHR 2444/4885
US-11685747-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 CYP3A4 4076/4885ALDH1A1 1431/4885TSHR 4745/4885
US-20230348494-A1 MCL1 INHIBITORS MCL1, BCL2L1, BCLAF1 CYP3A4 4459/4885ALDH1A1 946/4885TSHR 4551/4885
US-12024529-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 CYP3A4 4076/4885ALDH1A1 1431/4885TSHR 4745/4885
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 CYP3A4 4326/4885ALDH1A1 1891/4885TSHR 4714/4885
US-10100063-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 CYP3A4 4326/4885ALDH1A1 1891/4885TSHR 4714/4885
US-20250197421-A1 MCL1 INHIBITORS MCL1, BCL2L1, BCLAF1 CYP3A4 4459/4885ALDH1A1 946/4885TSHR 4551/4885
US-20190016736-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 CYP3A4 4076/4885ALDH1A1 1431/4885TSHR 4745/4885
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 CYP3A4 4326/4885ALDH1A1 1891/4885TSHR 4714/4885
US-11667652-B2 MCL1 inhibitors MCL1, BCL2L1, BCLAF1 CYP3A4 4459/4885ALDH1A1 946/4885TSHR 4551/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 CYP3A4 4326/4885ALDH1A1 1891/4885TSHR 4714/4885

“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.