SCHEMBL2825487

SCHEMBL2825487

[CH2]CC1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CYP2C9 P11712 1/20 0.38
CXCR3 P49682 1/20 0.31

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
SCHEMBL7714492 0.77 HSD11B1 (0.41) HSD11B1CYP2C9
SCHEMBL17350313 0.73 HSD11B1 (0.42) HSD11B1CYP2C9CXCR3
SCHEMBL5256611 0.73 HSD11B1 (0.38) HSD11B1CYP2C9
SCHEMBL7712775 0.71 HSD11B1 (0.37) HSD11B1CYP2C9
SCHEMBL5253729 0.69 HSD11B1 (0.35) HSD11B1
SCHEMBL150989 0.69 HSD11B1 (0.39) HSD11B1CYP2C9
SCHEMBL630318 0.69 SMN1; SMN2 (0.42) HSD11B1
SCHEMBL20180015 0.69 HSD11B1 (0.44) HSD11B1CYP2C9CXCR3
SCHEMBL21650459 0.69 HSD11B1 (0.44) HSD11B1CYP2C9CXCR3
SCHEMBL16567928 0.69 HSD11B1 (0.50) HSD11B1CYP2C9CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607334-B1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS DU PONT MERCK PHARMA (US) 1997-07-30 EP claimed
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US claimed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP claimed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP claimed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO claimed
US-11718585-B2 Bis-cyclic guanidines as antibacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2023-08-08 US disclosed
US-20220119352-A1 BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS NATIONAL SCIENCE FOUNDATION 2022-04-21 US disclosed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN disclosed
US-11214550-B2 Bis-cyclic guanidines as antibacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2022-01-04 US disclosed
US-20200231572-A1 NOVEL BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS NATIONAL SCIENCE FOUNDATION 2020-07-23 US disclosed
EP-3657947-A1 NOVEL BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS University Of South Florida (US) 2020-06-03 EP disclosed
WO-2019022873-A1 NOVEL BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2019-01-31 WO disclosed
WO-1995003285-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO disclosed
WO-1994025445-A1 1,5-BENZODIAZEPINES USEFUL AS GASTRIN OR CCK-ANTAGONISTS GLAXO S.P.A. (IT) 1994-11-10 WO disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 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 (4 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-20220119352-A1 BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS GMPS, CGAS, GDA HSD11B1 4837/4885CYP2C9 3707/4885CXCR3 1269/4885
US-11718585-B2 Bis-cyclic guanidines as antibacterial agents GMPS, CGAS, GDA HSD11B1 4837/4885CYP2C9 3707/4885CXCR3 1269/4885
US-11214550-B2 Bis-cyclic guanidines as antibacterial agents GMPS, CGAS, GDA HSD11B1 4837/4885CYP2C9 3707/4885CXCR3 1269/4885
US-20200231572-A1 NOVEL BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS GMPS, CGAS, GDA HSD11B1 4847/4885CYP2C9 4188/4885CXCR3 719/4885

“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.