SCHEMBL7943729

SCHEMBL7943729

COc1ccc2c(c1)CCC1C(c3cnc[nH]3)C21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 1.00
CYP11B2 P19099 2/20 0.63
CYP11B1 P15538 1/20 0.52
HSD17B1 P14061 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP17A1 P05093 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL12355112 0.83 CYP19A1 (0.71) CYP19A1CYP11B2CYP17A1
SCHEMBL7944637 0.77 CYP11B2 (1.00) CYP19A1CYP11B2SMN1; SMN2CYP17A1
SCHEMBL1479951 0.69 CYP19A1 (0.56) CYP19A1CYP11B1HSD17B1LMNAMAPT
SCHEMBL16944438 0.67 HTR2C (0.64) CYP19A1HSD17B1LMNAMAPTRECQL
SCHEMBL31525384 0.67 HTR2C (0.64) CYP19A1HSD17B1LMNAMAPTRECQL
SCHEMBL8068811 0.67 HTR2C (0.64) CYP19A1HSD17B1LMNAMAPTRECQL
SCHEMBL30563632 0.66 DRD2 (0.58) CYP19A1HSD17B1LMNAMAPTRECQL
SCHEMBL22516687 0.66 CYP19A1 (0.52) CYP19A1HSD17B1LMNAMAPTRECQL
SCHEMBL607389 0.66 CYP19A1 (0.52) CYP19A1LMNAHTR2C
SCHEMBL5498315 0.66 CYP19A1 (0.52) CYP19A1HSD17B1LMNAMAPTRECQL

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
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 US disclosed
WO-2010017120-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2010-02-11 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-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR ADRA2C, ADRB2, ADRA2A CYP19A1 677/4885CYP11B2 43/4885CYP11B1 104/4885

“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.