SCHEMBL16130135

SCHEMBL16130135

O=C(c1ccc(NC(=O)C(F)(F)F)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 14/20 0.64
▸ AVPR1A P37288 2/20 0.50
▸ TYK2 P29597 1/20 0.49
▸ PRKAB2 O43741 1/20 0.48
▸ PRKAG1 P54619 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ PRKAG3 Q9UGI9 1/20 0.48
▸ PRKAG2 Q9UGJ0 1/20 0.48
▸ PRKAB1 Q9Y478 1/20 0.48
▸ CYP46A1 Q9Y6A2 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM3 P20309 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
SCHEMBL21976119 0.79 PKLR (0.68) PKLRAVPR1ACYP46A1
SCHEMBL16084066 0.79 PKLR (1.00) PKLR
SCHEMBL16049701 0.78 AVPR1A (0.58) PKLRAVPR1ACYP46A1CHRM2CHRM3
SCHEMBL21977205 0.78 PKLR (0.63) PKLRAVPR1A
SCHEMBL21976822 0.78 PKLR (0.60) PKLRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL16083871 0.78 PKLR (0.82) PKLR
SCHEMBL16083860 0.78 PKLR (0.82) PKLR
SCHEMBL21976577 0.76 PKLR (0.68) PKLRAVPR1A
SCHEMBL16084080 0.76 PKLR (1.00) PKLR
SCHEMBL16084069 0.76 PKLR (1.00) PKLR

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-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — 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-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PKLR 14/4885AVPR1A 4191/4885TYK2 2254/4885

“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.

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