SCHEMBL193789

SCHEMBL193789

Cc1ccc(NC2(C#N)CCCCC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
GAA P10253 2/20 0.56
PDE4A P27815 14/20 0.45
PDE7A Q13946 4/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
FPR2 P25090 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
SCHEMBL12456469 0.84 CYP1A2 (0.65) CYP1A2GAAPDE4APDE7A
SCHEMBL193469 0.81 GAA (0.63) CYP1A2GAAPDE4APDE7AALDH1A1
SCHEMBL185651 0.79 CYP1A2 (0.71) CYP1A2GAAPDE4APDE7AALDH1A1
SCHEMBL1715548 0.77 CYP1A2 (0.73) CYP1A2GAAPDE4APDE7AALDH1A1
SCHEMBL24411044 0.77 CYP1A2 (0.54) CYP1A2GAAPDE4APDE7A
SCHEMBL193553 0.77 CYP1A2 (0.54) CYP1A2GAAPDE4APDE7AALDH1A1
SCHEMBL19127721 0.77 CYP1A2 (0.54) CYP1A2GAAPDE4APDE7A
SCHEMBL21231854 0.77 GAA (0.57) CYP1A2GAAPDE4APDE7AALDH1A1
SCHEMBL15647965 0.76 CYP1A2 (0.71) CYP1A2GAAPDE4APDE7AALDH1A1
SCHEMBL909605 0.74 CYP1A2 (0.68) CYP1A2GAAPDE4APDE7AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445523-B2 Dioxo-imidazolidine derivatives, which inhibit the enzyme SOAT-1, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-21 US disclosed
EP-2401266-B1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-11-28 EP disclosed
US-20120052096-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-01 US disclosed
EP-2401266-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097468-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 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 (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-20120052096-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, ODC1 CYP1A2 412/4885GAA 49/4885PDE4A 709/4885

“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.