SCHEMBL7569116

SCHEMBL7569116

CC(C)(C)OC(=O)N1CCC2(CC2)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
POLB P06746 1/20 0.44
KCNH2 Q12809 11/20 0.43
GPR119 Q8TDV5 2/20 0.40
CHRM4 P08173 3/20 0.39
CHRM1 P11229 2/20 0.39
GRM5 P41594 2/20 0.38
GRM1 Q13255 2/20 0.38
DTYMK P23919 1/20 0.38
P2RY1 P47900 1/20 0.38

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
SCHEMBL6002678 0.81 KCNH2 (0.43) KDM1APOLBKCNH2GPR119CHRM4
SCHEMBL23570520 0.80 POLB (0.43) KDM1APOLBKCNH2GPR119CHRM4
SCHEMBL28611990 0.79 KCNH2 (0.46) KDM1APOLBKCNH2GPR119CHRM4
SCHEMBL30462275 0.79 POLB (0.47) POLBGPR119GRM5GRM1DTYMK
SCHEMBL20732101 0.78 KDM1A (0.38) KDM1A
SCHEMBL30968406 0.76 KDM1A (0.39) KDM1APOLBKCNH2GPR119CHRM4
SCHEMBL861264 0.74 POLB (0.45) POLBGPR119GRM5GRM1DTYMK
SCHEMBL30454811 0.74 MAPK1 (0.53) POLBGPR119GRM5GRM1DTYMK
SCHEMBL20631821 0.74 POLB (0.38) KDM1APOLBKCNH2GPR119GRM5
SCHEMBL23570688 0.74 POLB (0.38) KDM1APOLBKCNH2GPR119CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-6472403-B2 IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-10-29 US disclosed
US-20020037889-A1 Alpha V integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-03-28 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 (2 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-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease ITGAM, ITGB1, ITGB2 KDM1A 2797/4885POLB 4845/4885KCNH2 2357/4885
US-20020037889-A1 Alpha V integrin receptor antagonists ITGAV, ITGB3, ITGA5 KDM1A 3435/4885POLB 3570/4885KCNH2 1413/4885

“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.