SCHEMBL7752845

SCHEMBL7752845

CC(C)[C@H]1CCCC[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.52
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
KDR P35968 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC18A3 Q16572 2/20 0.31
EPHX1 P07099 1/20 0.30
GBA1 P04062 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
SCHEMBL22601293 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL10070056 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL19818246 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL13312942 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL280337 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL680648 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL3047337 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL16202652 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL4843434 0.97 TRPA1 (0.50) TRPA1TRPM8CA1CA2CA4
SCHEMBL3914000 0.97 TRPA1 (0.50) TRPA1TRPM8CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-20230183242-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2023-06-15 US disclosed
US-20230183242-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2023-06-15 US disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
US-20210347786-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-11 US disclosed
US-7531662-B2 Cinchona-alkaloid-based catalysts, and asymmetric alcoholysis of cyclic anhydrides using them BRANDEIS UNIVERSITY (US) 2009-05-12 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US 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 (9 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-20230183242-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, JAK3, IFNAR1 TRPA1 3562/4885TRPM8 2894/4885CA1 4704/4885
US-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 TRPA1 4696/4885TRPM8 4699/4885CA1 2903/4885
US-20210347786-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, SLC10A1 TRPA1 62/4885TRPM8 742/4885CA1 694/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 TRPA1 3133/4885TRPM8 3261/4885CA1 4534/4885
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 TRPA1 4075/4885TRPM8 4567/4885CA1 2893/4885
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 TRPA1 2207/4885TRPM8 2455/4885CA1 4733/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TRPA1 4689/4885TRPM8 4191/4885CA1 4284/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS TRPA1 2044/4885TRPM8 2232/4885CA1 3544/4885
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 TRPA1 3808/4885TRPM8 4654/4885CA1 4229/4885

“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.