SCHEMBL17886232

SCHEMBL17886232

COc1ccccc1CCC(=O)N(C)OC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP3 P42574 1/20 0.46
CASP7 P55210 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
SCHEMBL31379599 1.00 AOC3 (0.51) AOC3MTNR1AMTNR1BTAAR1BCHE
SCHEMBL7331644 0.80 MTNR1A (0.60) AOC3MTNR1AMTNR1BTAAR1CASP3
SCHEMBL30800373 0.80 MTNR1A (0.60) AOC3MTNR1AMTNR1BTAAR1CASP3
SCHEMBL7450385 0.80 KMT2A (0.66) BCHEACHECHRM2CHRM1MEN1
SCHEMBL13227198 0.79 CDYL (0.52) MTNR1AMTNR1B
SCHEMBL29590071 0.78 LMNA (0.59) MTNR1AMTNR1BTAAR1
SCHEMBL30365164 0.78 MTNR1A (0.63) MTNR1AMTNR1BTAAR1KMT2ACASP3
SCHEMBL362209 0.78 LMNA (0.59) MTNR1AMTNR1BTAAR1
SCHEMBL266525 0.78 MTNR1A (0.63) MTNR1AMTNR1BTAAR1KMT2ACASP3
SCHEMBL2437293 0.77 TAAR1 (0.59) AOC3MTNR1AMTNR1BTAAR1CASP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994128-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-01-30 EP disclosed
US-9765089-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2017-09-19 US disclosed
US-9765089-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2017-09-19 US disclosed
US-20160185799-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-06-30 US disclosed
US-20160185799-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-06-30 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-20160185799-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 AOC3 369/4885MTNR1A 4218/4885MTNR1B 4082/4885

“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.