SCHEMBL13640725

SCHEMBL13640725

C#Cc1cccc(C(=O)N(C(C)(C)C)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTPN1 P18031 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.35
CRHR1 P34998 3/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABCB1 P08183 1/20 0.35
HDAC3 O15379 1/20 0.34
EGFR P00533 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL12084895 0.84 GSK3B (0.51) CYP3A4CYP2C9GSK3BMEN1KMT2A
SCHEMBL1636094 0.77 HPGD (0.61) LMNAHPGDTDP1MEN1KMT2A
SCHEMBL7898354 0.76 CYP3A4 (0.49) CYP3A4CYP2C9LMNAHPGDTDP1
SCHEMBL15339830 0.76 HPGD (0.59) CYP3A4CYP2C9HPGDTDP1ABCB1
SCHEMBL4284750 0.76 CA12 (0.52) CYP3A4CYP2C9CA12CA1CA2
SCHEMBL1636079 0.75 LMNA (0.47) CA12CA1CA2CA9CA14
SCHEMBL28751183 0.75 TP53 (0.47) LMNAHPGDTDP1EGFRHDAC1
SCHEMBL3839084 0.75 TDP1 (0.52) PTPN1CA12CA1CA2CA9
SCHEMBL12084828 0.75 CES2 (0.55) CYP3A4CYP2C9HDAC1HDAC6MEN1
SCHEMBL1637626 0.74 ESR1 (0.44) PTPN1CA12CA1CA2CA9

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-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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 (2 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 CYP3A4 1260/4885CYP2C9 2754/4885PTPN1 1568/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 CYP3A4 1025/4885CYP2C9 2561/4885PTPN1 1061/4885

“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.