SCHEMBL794476

SCHEMBL794476

Brc1ccc2c(c1)nnn2C1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 4/20 0.47
▸ GRM5 P41594 1/20 0.40
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27164238 0.89 HCAR3 (0.39) HCAR3GRM5RXRARXRBRXRG
SCHEMBL30839246 0.84 HCAR3 (0.47) HCAR3GRM5RXRARXRBRXRG
SCHEMBL29175771 0.84 HCAR3 (0.47) HCAR3GRM5RXRARXRBRXRG
SCHEMBL794446 0.81 HCAR3 (0.44) HCAR3GRM5RXRARXRBRXRG
SCHEMBL806435 0.80 USP2 (0.49) HCAR3TSHRALDH1A1LMNAMAPT
SCHEMBL29175741 0.80 L3MBTL1 (0.44) HCAR3ALDH1A1LMNAMAPTHPGD
SCHEMBL30839258 0.80 L3MBTL1 (0.44) HCAR3ALDH1A1LMNAMAPTHPGD
SCHEMBL794057 0.78 HCAR3 (0.42) HCAR3GRM5RXRARXRBRXRG
SCHEMBL2144446 0.77 CYP2C19 (0.45) TSHRALDH1A1TP53HPGDMEN1
SCHEMBL30854893 0.76 HCAR3 (0.40) HCAR3GRM5RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — US disclosed
EP-4332101-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2024-03-06 — — EP disclosed
CN-117295734-A Methionine adenosyltransferase inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-12-26 — — CN disclosed
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 — — EP disclosed
WO-2022228515-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 赛诺哈勃药业(成都)有限公司 2022-11-03 — — WO disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-9399646-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2016-07-26 — — US disclosed
EP-2735562-B1 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2015-03-11 — — EP disclosed
EP-2735562-A1 Estrogen receptor modulators and uses thereof Seragon Pharmaceuticals, Inc. (US) 2014-05-28 — — EP disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
EP-2616445-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2013-07-24 — — EP disclosed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 — — WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 — — WO 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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 HCAR3 143/4885GRM5 113/4885RXRA 29/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B HCAR3 3195/4885GRM5 1919/4885RXRA 3441/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 HCAR3 145/4885GRM5 111/4885RXRA 34/4885

“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.

Send feedback