SCHEMBL652792

SCHEMBL652792

CC(C)(C)OC(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
GPR119 Q8TDV5 4/20 0.52
THRB P10828 1/20 0.51
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NAMPT P43490 2/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD3 P35462 1/20 0.46

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
SCHEMBL2457525 0.95 CKS1B (0.53) GRM5GPR119THRBSMARCA2SMARCA4
SCHEMBL25003057 0.89 NR1H2 (0.47) GRM5GPR119THRBSMARCA2SMARCA4
SCHEMBL31432988 0.89 CYP11B2 (0.52) GRM5GPR119ALDH1A1SMN1; SMN2
SCHEMBL31432902 0.86 CYP11B2 (0.50) GRM5GPR119ALDH1A1SMN1; SMN2
SCHEMBL31432962 0.85 CYP11B2 (0.54) GRM5GPR119
SCHEMBL31432814 0.85 CYP11B2 (0.53) GRM5GPR119
SCHEMBL2456832 0.84 GRM1 (0.56) GRM5GPR119NAMPT
SCHEMBL31432786 0.84 GPR119 (0.52) GRM5GPR119THRB
SCHEMBL1583986 0.84 GPR119 (0.44) GRM5GPR119THRBSMARCA2SMARCA4
SCHEMBL31432637 0.84 CYP11B2 (0.61) GRM5GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221814-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. 2021-07-22 US disclosed
US-20210221814-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. 2021-07-22 US disclosed
US-20210107912-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. 2021-04-15 US disclosed
US-20210107912-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. 2021-04-15 US disclosed
EP-3805218-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
EP-3805218-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
EP-3129371-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2020-07-29 EP disclosed
EP-3129371-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2020-07-29 EP disclosed
US-20190330218-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2019-10-31 US disclosed
US-20190330218-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2019-10-31 US disclosed
WO-2000051610-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000051607-A1 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO disclosed
EP-1009405-A1 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2000-06-21 EP disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 US disclosed
WO-1999009984-A1 PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
EP-0783498-A4 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO INC (US) 1998-04-15 EP disclosed
EP-0783498-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1997-07-16 EP disclosed
US-5607936-A USEFUL IN TREATMENT OF RESPIRATORY DISEASES MERCK & CO., INC. (US) 1997-03-04 US disclosed
WO-1996010568-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1996-04-11 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 (3 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-20210107912-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 GRM5 4160/4885GPR119 1873/4885THRB 2376/4885
US-20210221814-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 GRM5 4160/4885GPR119 1873/4885THRB 2376/4885
US-20190330218-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 GRM5 4160/4885GPR119 1873/4885THRB 2376/4885

“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.