SCHEMBL21093517

SCHEMBL21093517

CCC(=O)CCc1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 4/20 0.56
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ CYP19A1 P11511 1/20 0.50
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ FFAR1 O14842 2/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ GRM3 Q14832 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GLS O94925 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20466171 0.84 MAOA (0.53) IAPPMAOAMAOBCYP19A1THRA
SCHEMBL22423216 0.83 IAPP (0.56) IAPPFFAR1TDP1L3MBTL1ALDH1A1
SCHEMBL1818277 0.82 ALDH1A1 (0.60) IAPPMAOAMAOBCYP19A1THRA
SCHEMBL10694899 0.81 IAPP (0.57) IAPPTHRATHRBFFAR1TDP1
SCHEMBL28910429 0.81 IAPP (0.62) IAPP
SCHEMBL360723 0.80 THRA (0.62) MAOAMAOBCYP19A1THRATHRB
SCHEMBL4604250 0.80 MAOA (0.57) MAOAMAOBCYP19A1THRATHRB
SCHEMBL28186660 0.80 MAOA (0.57) MAOAMAOBCYP19A1THRATHRB
SCHEMBL23901663 0.79 IAPP (0.56) IAPPMAOBFFAR1
SCHEMBL1068218 0.79 CYP4F2 (0.55) MAOAMAOBCYP19A1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 — — US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 — — US disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 — — US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 — — US disclosed
US-9555035-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2017-01-31 — — US disclosed
US-20160331753-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-11-17 — — US disclosed
US-9428499-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2016-08-30 — — US disclosed
US-20150133424-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2015-05-14 — — 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 (5 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-20160331753-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS IAPP 4550/4885MAOA 1014/4885MAOB 711/4885
US-20150133424-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS IAPP 4550/4885MAOA 1014/4885MAOB 711/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 IAPP 195/4885MAOA 1516/4885MAOB 1282/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 IAPP 195/4885MAOA 1516/4885MAOB 1282/4885
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS IAPP 4550/4885MAOA 1014/4885MAOB 711/4885

“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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