SCHEMBL15056539

SCHEMBL15056539

O=C(O)CC1COCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.42
PPARG P37231 7/20 0.42
FFAR1 O14842 5/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
PPARA Q07869 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29960678 1.00 PPARD (0.42) PPARDPPARGFFAR1PTGDR2PPARA
SCHEMBL29960742 0.84 FFAR1 (0.46) PPARDPPARGFFAR1PPARATP53
SCHEMBL19838624 0.80 CYP1A2 (0.44) PTGDR2L3MBTL1
SCHEMBL29960504 0.80 CYP1A2 (0.44) PTGDR2L3MBTL1
SCHEMBL7950524 0.80 MTNR1A (0.33) PTGDR2
SCHEMBL19852205 0.79 NOTUM (0.33) PTGDR2
SCHEMBL14978978 0.78 FFAR1 (0.47) PPARDFFAR1TP53L3MBTL1
SCHEMBL8638015 0.78 FFAR1 (0.47) PPARDFFAR1TP53L3MBTL1
SCHEMBL8367488 0.76 HTR2A (0.34) PTGDR2
SCHEMBL17061157 0.75 NOTUM (0.33) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 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 (3 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 PPARD 44/4885PPARG 56/4885FFAR1 74/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C PPARD 4644/4885PPARG 4228/4885FFAR1 3365/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PPARD 4644/4885PPARG 4228/4885FFAR1 3365/4885

“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.