Sugi Predict

Sugi Predict / Compounds / SCHEMBL646389

SCHEMBL646389

SCHEMBL646389

COC(=O)C12CCC(C(=O)O)(CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD11B1 P28845 1/20 0.37
▸ FFAR3 O14843 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL28410137 0.98 CHRM1 (0.41) CHRM1NPSR1HSD11B1FFAR3LMNA
SCHEMBL2453128 0.93 NPSR1 (0.41) CHRM1NPSR1HSD11B1FFAR3LMNA
SCHEMBL2445606 0.89 NPSR1 (0.46) CHRM1NPSR1HSD11B1LMNAMEN1
SCHEMBL16875558 0.86 NPSR1 (0.38) CHRM1NPSR1HSD11B1FFAR3LMNA
SCHEMBL21404239 0.86 NPSR1 (0.38) CHRM1NPSR1HSD11B1FFAR3LMNA
SCHEMBL1536077 0.86 NPSR1 (0.38) CHRM1NPSR1HSD11B1FFAR3LMNA
SCHEMBL2451039 0.82 NPSR1 (0.46) CHRM1NPSR1HSD11B1LMNAMEN1
SCHEMBL1567508 0.81 NPSR1 (0.38) CHRM1NPSR1HSD11B1FFAR3LMNA
SCHEMBL705019 0.80 NPSR1 (0.40) CHRM1NPSR1HSD11B1LMNAMEN1
SCHEMBL20851067 0.80 MEN1 (0.37) CHRM1NPSR1FFAR3LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613279-A N-substituted benzene ring bioisostere and preparation method thereof 上海交通大学 2025-03-14 — — CN claimed
EP-1347981-B1 CONDENSED PURINE DERIVATIVES AS A 1 ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-05-07 — — EP claimed
US-20030220358-A1 A1 adenosine receptro antagonists BIOGEN IDEC MA INC. 2003-11-27 — — US claimed
EP-1347981-A1 CONDENSED PURINE DERIVATIVES AS A 1? ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2003-10-01 — — EP claimed
US-20020111333-A1 A1 adenosine receptor antagonists BIOGEN IDEC MA INC. 2002-08-15 — — US claimed
WO-2002044182-A1 CONDENSED PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2002-06-06 — — WO claimed
EP-4745129-A2 COMPOUND HAVING CYCLIC STRUCTURE Daiichi Sankyo Company, Limited (JP) 2026-05-20 — — EP disclosed
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 — — WO disclosed
EP-4741387-A1 CRYSTAL FORM OF BIPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-13 — — EP disclosed
EP-4741386-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-13 — — EP disclosed
EP-4731306-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2026-04-29 — — EP disclosed
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 — — EP disclosed
EP-3682881-B1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO CO LTD (JP) 2026-04-01 — — EP disclosed
WO-2004058730-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 — — WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 — — US disclosed
US-20030220358-A1 A1 adenosine receptro antagonists BIOGEN IDEC MA INC. 2003-11-27 — — US disclosed
EP-1347981-A1 CONDENSED PURINE DERIVATIVES AS A 1? ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2003-10-01 — — EP disclosed
US-6605601-B2 Hypotensive agents; cardiovascular disorders BIOGEN, INC. 2003-08-12 — — US disclosed
US-20020111333-A1 A1 adenosine receptor antagonists BIOGEN IDEC MA INC. 2002-08-15 — — US disclosed
WO-2002044182-A1 CONDENSED PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2002-06-06 — — 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-20030220358-A1 A1 adenosine receptro antagonists ADORA1, ADORA2A, ADORA3 CHRM1 72/4885NPSR1 158/4885HSD11B1 1528/4885
US-20020111333-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 CHRM1 60/4885NPSR1 265/4885HSD11B1 1306/4885
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 CHRM1 3855/4885NPSR1 2632/4885HSD11B1 1/4885

“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.