SCHEMBL13206752

SCHEMBL13206752

COc1ccccc1CC(=O)N(C(C)(C)C)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
SIGMAR1 Q99720 2/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TTR P02766 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL8567854 0.81 TSHR (0.60) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10013764 0.79 CYP1A2 (0.78) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9661866 0.78 GAA (0.52) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13226266 0.78 CYP1A2 (0.56) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28118170 0.77 ATM (0.58) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29907950 0.77 GAA (0.64) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2826584 0.77 GAA (0.64) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4556502 0.76 TSHR (0.55) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29431297 0.75 HSD17B10 (0.61) TSHRKMT2AMEN1MAPTLMNA
SCHEMBL155982 0.75 HSD17B10 (0.61) TSHRKMT2AMEN1MAPTLMNA

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-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885CYP1A2 1140/4885CYP3A4 1260/4885

“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.