SCHEMBL10075682

SCHEMBL10075682

Cc1cc(N2C(=O)N3C(=O)NCC3(C)C2=O)ccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.37
PGR P06401 1/20 0.36

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
SCHEMBL332400 0.84 AR (0.60) ARPGR
SCHEMBL10075912 0.81 AR (0.44) ARCYP11B2PGR
SCHEMBL10075363 0.80 AR (0.41) ARCYP11B2CYP11B1PGR
SCHEMBL10075362 0.75 CYP11B2 (0.43) ARCYP11B2CYP11B1PGR
SCHEMBL10072803 0.75 AR (0.51) ARPGR
SCHEMBL16841789 0.75 AR (0.47) AR
SCHEMBL16841798 0.74 AR (0.46) AR
SCHEMBL632871 0.73 AR (0.69) ARCYP11B2PGR
SCHEMBL10075680 0.73 CYP11B2 (0.43) ARCYP11B2CYP11B1
SCHEMBL18994017 0.72 AR (0.43) ARCYP11B2PGR

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-8097730-B2 Bicyclic heterocycles useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-17 US disclosed
US-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ZHANG XUQING 2010-06-24 US disclosed
US-7626036-B2 4-(3a-Methyl-1,3-dioxo-5-trifluoromethyl-3a,4-dihydro-3H-1l4-thia-2,6,6a-triaza-pentalen-2-yl)-2-trifluoromethyl-benzonitrile; anticarcinogenic agents; prostate glands; benign prostatic hyperplasia; alopecia; eating disorders; mammary glands; acne; AIDS; cachexia; male contraceptives; sexual disorders JANSSEN PHARMACEUTICA NV (BE) 2009-12-01 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-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, FSHR AR 1/4885CYP11B2 18/4885CYP11B1 16/4885

“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.