SCHEMBL2297459

SCHEMBL2297459

CC(C)(C)OC(=O)N1CC=C(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
PDK4 Q16654 1/20 0.54
GRM1 Q13255 11/20 0.53
GRM5 P41594 10/20 0.52
MAPT P10636 1/20 0.51
HTR6 P50406 1/20 0.49
SOS1 Q07889 1/20 0.48
CDK7 P50613 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
TNK2 Q07912 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
SCHEMBL17222886 0.89 NAMPT (0.52) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL2594283 0.87 GRM1 (0.65) NAMPTPDK4GRM1GRM5MAPT
SCHEMBL8912847 0.87 NAMPT (0.63) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL18326659 0.85 NAMPT (0.49) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL904049 0.85 NAMPT (0.61) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL940673 0.85 NAMPT (0.56) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL17229879 0.84 GRM1 (0.50) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL18619842 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL2908091 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL18619845 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5HTR6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 WO disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-1836168-B1 BENZOYL-TETRAHYDROPYRIDINE AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-25 EP disclosed
US-7485637-B2 Benzoyl-tetrahydropiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
EP-1836168-A1 BENZOYL-TETRAHYDROPYRIDINE AS GLYT-1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-26 EP disclosed
WO-2006072432-A1 BENZOYL-TETRAHYDROPYRIDINE AS GLYT-1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
US-20060148797-A1 Benzoyl-tetrahydropiperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 US disclosed
WO-2003101381-A2 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2003-12-11 WO disclosed
US-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 US disclosed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 NAMPT 692/4885PDK4 165/4885GRM1 4410/4885
US-20060148797-A1 Benzoyl-tetrahydropiperidine derivatives GRIN2A, HTR5A, BACE1 NAMPT 2669/4885PDK4 1085/4885GRM1 79/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I NAMPT 273/4885PDK4 2762/4885GRM1 363/4885

“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.