SCHEMBL16612734

SCHEMBL16612734

NC1CCC(Cc2ccncc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.52
CYP11B2 P19099 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.41
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1000330 0.89 CYP19A1 (0.61) CYP19A1CYP11B2LOXL2TRPA1ALDH1A1
SCHEMBL4864390 0.81 CYP19A1 (0.57) CYP19A1CYP11B2LOXL2TRPA1
SCHEMBL8293176 0.81 CYP19A1 (0.57) CYP19A1CYP11B2TRPA1
SCHEMBL14174294 0.80 CYP19A1 (0.52) CYP19A1CYP11B2TRPA1KDM4EALDH1A1
SCHEMBL4203449 0.79 GBA1 (0.59) ALDH1A1
SCHEMBL6160526 0.79 GBA1 (0.59) ALDH1A1
SCHEMBL8910496 0.79 CYP19A1 (0.55) CYP19A1CYP11B2TRPA1
SCHEMBL40077 0.78 MEN1 (0.44) LOXL2ALDH1A1
Hydrochloric Acid SCHEMBL29210829 0.78 GBA1 (0.57) ALDH1A1
Hydrochloric Acid SCHEMBL30304790 0.78 GBA1 (0.57) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CYP19A1 1754/4885CYP11B2 397/4885LOXL2 4331/4885

“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.