SCHEMBL6160001

SCHEMBL6160001

COC(=O)[C@@H]1C[C@@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
GABRR1 P24046 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL1298063 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1298064 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2961543 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2957502 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2851892 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1297864 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL1297660 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL5776911 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2961541 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2518872 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1

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
EP-4178620-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-04-01 EP disclosed
US-12528786-B2 Plasma kallikrein inhibitors MERCK SHARP & DOHME LLC (US) 2026-01-20 US disclosed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 US disclosed
US-20230348428-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-02 US disclosed
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ENLIVEN INC. (US) 2023-09-26 US disclosed
CN-116157154-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-05-23 CN disclosed
EP-4178620-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-05-17 EP disclosed
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-04-27 US disclosed
US-6391889-B2 POTENT ANTIMICROBIAL ACTIVITY ON BROAD RANGE OF MICROORGANISMS, E.G., STAPHYLOCOCCUS, GRAMPOSITIVE BACTERIA AND QUINOLONE ANTIBIOTIC RESISTANCE; SIDE EFFECT REDUCTION; NONTOXIC DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-05-21 US disclosed
US-20020052502-A1 Cis-substituted aminocyclopropane derivative DAIICHI PHARMACEUTICAL CO., LTD. 2002-05-02 US disclosed
US-20020002182-A1 CIS-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
EP-0571822-B1 Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 2001-08-16 EP disclosed
EP-0919553-A1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-02 EP disclosed
US-5418232-A Hypotensive, increases renal blood flow DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-23 US disclosed
EP-0571822-A1 Diazabicycloalkene derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-12-01 EP disclosed
US-4859680-A Pyrimidine derivatives as antiviral compounds MERCK & CO., INC. (US) 1989-08-22 US disclosed
US-4617304-A VIRICIDE; HERPES MERCK & CO., INC. (US) 1986-10-14 US disclosed
EP-0159264-A2 Antiviral compounds MERCK & CO. INC. (US) 1985-10-23 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 (8 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-20020052502-A1 Cis-substituted aminocyclopropane derivative SLC11A2, MYD88, ARG1 CYP3A4 472/4885CYP1A2 825/4885CYP2D6 144/4885
US-20020002182-A1 CIS-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES PHOSPHO1, CCR2, ECH1 CYP3A4 1440/4885CYP1A2 1677/4885CYP2D6 1571/4885
US-20230348428-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 CYP3A4 2585/4885CYP1A2 2776/4885CYP2D6 3203/4885
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2D6 2057/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2D6 2057/4885
US-12528786-B2 Plasma kallikrein inhibitors CFH, KLKB1, SERPINH1 CYP3A4 3325/4885CYP1A2 3838/4885CYP2D6 2279/4885
US-11767321-B2 5- and 6-azaindole compounds for inhibition of BCR-ABL tyrosine kinases ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2D6 2057/4885
US-20230130724-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR CYP3A4 3060/4885CYP1A2 2919/4885CYP2D6 2057/4885

“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.