SCHEMBL14467975

SCHEMBL14467975

COc1ccccc1OC(=O)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.53
RAB9A P51151 2/20 0.53
TSHR P16473 2/20 0.53
PKM P14618 1/20 0.53
NPC1 O15118 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
BCHE P06276 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL16965115 0.92 RAB9A (0.60) NCEH1RAB9ATSHRPKMNPC1
SCHEMBL13034567 0.82 KMT2A (0.49) CA12CA1CA2CA4CA7
SCHEMBL29728586 0.82 NCEH1 (0.54) NCEH1RAB9ATSHRPKMNPC1
SCHEMBL16965297 0.82 NCEH1 (0.54) NCEH1RAB9ATSHRPKMNPC1
O-Tolyl Dimethylcarbamate SCHEMBL8927621 0.80 NCEH1 (0.56) NCEH1RAB9ATSHRPKMNPC1
SCHEMBL12086299 0.79 HSD17B10 (0.62) RAB9ATSHRNPC1CA12CA1
SCHEMBL18375785 0.79 SLC6A3 (0.65) NCEH1TSHRLMNA
SCHEMBL12988419 0.79 BCHE (0.54) CA12CA1CA2CA4CA7
SCHEMBL12084058 0.79 CA12 (0.46) CA12CA1CA2CA4CA7
SCHEMBL11299389 0.79 L3MBTL1 (0.56) NCEH1RAB9ATSHRPKMNPC1

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
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 NCEH1 778/4885RAB9A 1944/4885TSHR 131/4885

“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.