SCHEMBL6042265

SCHEMBL6042265

CC(C)(C)OC(=O)N1CC=C(c2ccc(CCCc3ccccc3)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.51
▸ GRM5 P41594 9/20 0.49
▸ GRM1 Q13255 8/20 0.49
▸ PDK4 Q16654 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ WNT3A P56704 1/20 0.46
▸ TNK2 Q07912 1/20 0.46
▸ CYP11B2 P19099 1/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ CDK7 P50613 1/20 0.42
▸ CDK13 Q14004 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42

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
SCHEMBL6042854 0.90 NAMPT (0.47) NAMPTGRM5GRM1PDK4BTK
SCHEMBL6042528 0.88 NAMPT (0.49) NAMPTGRM5GRM1PDK4BTK
SCHEMBL6955999 0.85 S1PR1 (0.42) NAMPTGRM5GRM1BTKWNT3A
SCHEMBL1577504 0.84 NAMPT (0.53) NAMPTGRM5GRM1PDK4BTK
SCHEMBL30006633 0.84 NAMPT (0.53) NAMPTGRM5GRM1PDK4BTK
SCHEMBL31510790 0.83 NAMPT (0.52) NAMPTGRM5GRM1PDK4BTK
SCHEMBL10179599 0.80 NAMPT (0.50) NAMPTGRM5GRM1PDK4BTK
SCHEMBL16492725 0.80 NAMPT (0.54) NAMPTGRM5GRM1PDK4WNT3A
SCHEMBL19989639 0.79 NAMPT (0.67) NAMPTGRM5GRM1PDK4BTK
SCHEMBL8195218 0.79 NAMPT (0.57) NAMPTGRM5GRM1PDK4BTK

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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 — — US disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 — — US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 — — 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 (1 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 NAMPT 1110/4885GRM5 768/4885GRM1 572/4885

“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.

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