SCHEMBL18547719

SCHEMBL18547719

COC(=O)c1ccc2nn(C3CC3)c(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ CDK7 P50613 1/20 0.42
▸ CDK13 Q14004 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ GRM1 Q13255 9/20 0.41
▸ GRM5 P41594 9/20 0.41
▸ PDK4 Q16654 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 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
SCHEMBL18548226 0.79 MAPT (0.47) SCN9ACNR1
SCHEMBL21138144 0.78 CNR1 (0.59) JAK1SCN9AGRM1GRM5PDK4
SCHEMBL18547678 0.76 JAK1 (0.45) JAK1SCN9ACDK7CDK13CDK12
SCHEMBL2951348 0.75 NAMPT (0.60) JAK1SCN9ACDK7CDK13CDK12
SCHEMBL28469126 0.75 SCN9A (0.50) JAK1SCN9AGRM1GRM5PDK4
SCHEMBL31700764 0.74 PDK4 (0.53) JAK1SCN9AGRM1GRM5PDK4
SCHEMBL21496913 0.73 SCN9A (0.64) JAK1SCN9AGRM1GRM5PDK4
SCHEMBL2264033 0.73 GABRP (0.60) JAK1SCN9APDK4CNR1GABRP
SCHEMBL1038502 0.73 PDK4 (0.52) JAK1SCN9AGRM1GRM5PDK4
SCHEMBL30755292 0.73 SCN9A (0.47) JAK1SCN9ACDK7CDK13CDK12

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-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 — — US disclosed
WO-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — WO disclosed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — 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-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 JAK1 2238/4885SCN9A 2321/4885CDK7 1635/4885

“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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