SCHEMBL21145504

SCHEMBL21145504

O=C(O)CC1CCc2ccncc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.48
PPARA Q07869 4/20 0.48
FFAR1 O14842 1/20 0.47
FDPS P14324 1/20 0.47
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL21145509 0.88 PPARD (0.51) PPARDPPARAFFAR1
SCHEMBL8352315 0.81 CYP19A1 (0.50) PPARDPPARA
SCHEMBL7847075 0.77 FFAR1 (0.62) PPARDPPARAFFAR1
SCHEMBL11923604 0.77 CHRNB2 (0.49) FDPSCHRNB2CHRNA4CHRNA7
SCHEMBL1470461 0.77 FFAR1 (0.62) PPARDPPARAFFAR1
SCHEMBL7845908 0.77 FFAR1 (0.62) PPARDPPARAFFAR1
Bromide SCHEMBL8113723 0.77 CYP19A1 (0.49) PPARDPPARA
SCHEMBL19838561 0.76 CHRNB2 (0.51) FDPSCHRNB2CHRNA4CHRNA7
SCHEMBL3411465 0.74 ESR1 (0.62) PPARDPPARAFFAR1
Hydrochloric Acid SCHEMBL19839319 0.74 CHRNB2 (0.50) FDPSCHRNB2CHRNA4CHRNA7

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 2 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C PPARD 4644/4885PPARA 4643/4885FFAR1 3365/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PPARD 4644/4885PPARA 4643/4885FFAR1 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.