SCHEMBL17789686

SCHEMBL17789686

[2H]C([2H])([2H])N(C(=O)c1nn(-c2ccsc2)c2c1COc1cc(OC)c(-c3ccn(C)c3)cc1-2)C1CCOC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.32
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL17789683 0.91 CACNA2D1 (0.32) CACNA2D1NPC1
SCHEMBL16377971 0.90 — —
SCHEMBL17789684 0.90 — —
SCHEMBL17789698 0.90 — —
SCHEMBL17789703 0.90 — —
SCHEMBL22626630 0.89 CACNA2D1 (0.31) CACNA2D1
SCHEMBL22626501 0.89 CACNA2D1 (0.30) CACNA2D1
SCHEMBL17789685 0.88 CACNA2D1 (0.30) CACNA2D1
SCHEMBL17789678 0.85 — —
SCHEMBL16377840 0.84 HPGDS (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — 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-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CACNA2D1 838/4885NPC1 4565/4885

“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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