SCHEMBL117165

SCHEMBL117165

CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
GRIN1 Q05586 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL15781123 0.97 GRIN2D (0.45) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12212834 0.92 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12212833 0.92 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21670050 0.89 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21670049 0.89 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13050809 0.89 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL10204995 0.89 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16117660 0.86 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16591595 0.86 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12264011 0.85 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 US disclosed
US-11820781-B2 Bifunctional compounds for degrading BTK via ubiquitin proteosome pathway NURIX THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11820781-B2 Bifunctional compounds for degrading BTK via ubiquitin proteosome pathway NURIX THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2023-08-17 US disclosed
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2023-08-17 US disclosed
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 US disclosed
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 US disclosed
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-07-20 US disclosed
US-10456397-B2 Covalent inhibitors of CDK-7 NEWAVE PHARMACEUTICAL INC. (US) 2019-10-29 US disclosed
US-20190151316-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL LLC 2019-05-23 US disclosed
US-10195200-B2 Covalent inhibitors of CDK-7 NEWAVE PHARMACEUTICAL INC. (US) 2019-02-05 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 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 (11 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 GRIN2D 4015/4885GRIN3B 3529/4885CHRM2 4866/4885
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 GRIN2D 3666/4885GRIN3B 2412/4885CHRM2 2159/4885
US-10456397-B2 Covalent inhibitors of CDK-7 CDK7, CDKL1, CDK1 GRIN2D 3321/4885GRIN3B 3074/4885CHRM2 2791/4885
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E GRIN2D 4320/4885GRIN3B 4153/4885CHRM2 3559/4885
US-20190151316-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 GRIN2D 3321/4885GRIN3B 3074/4885CHRM2 2791/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E GRIN2D 4320/4885GRIN3B 4153/4885CHRM2 3559/4885
US-11820781-B2 Bifunctional compounds for degrading BTK via ubiquitin proteosome pathway BTK, CBL, XIAP GRIN2D 4844/4885GRIN3B 4779/4885CHRM2 4837/4885
US-20230227471-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY BTK, CBL, XIAP GRIN2D 4844/4885GRIN3B 4779/4885CHRM2 4837/4885
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF KHK, GCK, HK1 GRIN2D 2783/4885GRIN3B 2756/4885CHRM2 4541/4885
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR BTK, WEE1, WEE2 GRIN2D 4826/4885GRIN3B 4560/4885CHRM2 4809/4885
US-10195200-B2 Covalent inhibitors of CDK-7 CDK7, CDKL1, CDK1 GRIN2D 3321/4885GRIN3B 3074/4885CHRM2 2791/4885

“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.