SCHEMBL20729403

SCHEMBL20729403

CCCCCCCCC(CCCCCCC)n1ccnn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
OPRM1 P35372 1/20 0.34
TBXAS1 P24557 1/20 0.34
FDPS P14324 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL19302676 1.00 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1FDPSSPHK1
SCHEMBL19226278 1.00 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1FDPSSPHK1
SCHEMBL23771912 1.00 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1FDPSSPHK1
SCHEMBL20031996 0.96 CYP19A1 (0.35) CYP19A1OPRM1TBXAS1
SCHEMBL28275409 0.91 CYP19A1 (0.34) CYP19A1OPRM1TBXAS1
Bromide SCHEMBL29191437 0.86 OPRM1 (0.36) CYP19A1OPRM1TBXAS1SPHK1
SCHEMBL11194903 0.81 OPRM1 (0.39) CYP19A1OPRM1TBXAS1SPHK1
SCHEMBL20397465 0.80 CYP19A1 (0.34) CYP19A1OPRM1TBXAS1
SCHEMBL27995273 0.80 ADA (0.35) OPRM1
SCHEMBL27995100 0.80 ADA (0.35) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2021-12-02 US disclosed
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 US disclosed
US-10793563-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-03-17 US disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-02-14 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 (6 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-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C CYP19A1 2118/4885OPRM1 54/4885TBXAS1 179/4885
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP19A1 3392/4885OPRM1 4085/4885TBXAS1 3413/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP19A1 3392/4885OPRM1 4085/4885TBXAS1 3413/4885
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CYP19A1 1197/4885OPRM1 2098/4885TBXAS1 295/4885
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CYP19A1 1197/4885OPRM1 2098/4885TBXAS1 295/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR CYP19A1 3392/4885OPRM1 4085/4885TBXAS1 3413/4885

“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.