SCHEMBL11955100

SCHEMBL11955100

CC(C)(C)CC1COCCO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 2/20 0.32
HTR5A P47898 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23240854 1.00 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL23240853 1.00 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL12747259 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL12747265 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL12747269 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL23788362 0.87 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3
SCHEMBL15503177 0.83 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM3
SCHEMBL8077626 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL3046904 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL15953082 0.81 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 US disclosed
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 US disclosed
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 US disclosed
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-01-19 US disclosed
US-RE49352-E1 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-03 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-20210244711-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2020-09-10 US disclosed
US-10751339-B2 Substituted aminopyrimidine compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-08-25 US disclosed
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 US disclosed
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 US disclosed
US-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-20160039880-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2016-02-11 US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 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 (12 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-20160039880-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 CHRM2 3885/4885CHRM4 3983/4885CHRM5 3434/4885
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ADCY9, ADCY7, GUCY1B1 CHRM2 25/4885CHRM4 93/4885CHRM5 39/4885
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 CHRM2 4881/4885CHRM4 4883/4885CHRM5 4882/4885
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CHRM2 2674/4885CHRM4 3914/4885CHRM5 3968/4885
US-20210244711-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 CHRM2 995/4885CHRM4 908/4885CHRM5 949/4885
US-10751339-B2 Substituted aminopyrimidine compounds and methods of use PIK3CA, PIK3CD, MYD88 CHRM2 4869/4885CHRM4 4878/4885CHRM5 4820/4885
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP51A1 CHRM2 158/4885CHRM4 514/4885CHRM5 374/4885
US-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 CHRM2 995/4885CHRM4 908/4885CHRM5 949/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 CHRM2 4/4885CHRM4 9/4885CHRM5 8/4885
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF WEE1, CBR3, GLRX3 CHRM2 2043/4885CHRM4 1560/4885CHRM5 2448/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CHRM2 3288/4885CHRM4 3470/4885CHRM5 2979/4885
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 CHRM2 929/4885CHRM4 400/4885CHRM5 244/4885

“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.