SCHEMBL1818277

SCHEMBL1818277

CC(=O)CCc1cccc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ MAOA P21397 3/20 0.55
▸ MAOB P27338 2/20 0.55
▸ CYP19A1 P11511 1/20 0.53
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FFAR1 O14842 2/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ GRM3 Q14832 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
SCHEMBL22527126 0.89 MAOA (0.52) ALDH1A1MAOAMAOBCYP19A1THRA
SCHEMBL18768957 0.86 ALDH1A1 (0.72) ALDH1A1MAOAKDM4ENPC1LMNA
SCHEMBL28747186 0.85 MAOA (0.59) ALDH1A1MAOAMAOBCYP19A1THRA
SCHEMBL28186660 0.83 MAOA (0.57) MAOAMAOBCYP19A1THRATHRB
SCHEMBL4604250 0.83 MAOA (0.57) MAOAMAOBCYP19A1THRATHRB
SCHEMBL360723 0.83 THRA (0.62) MAOAMAOBCYP19A1THRATHRB
SCHEMBL21093517 0.82 IAPP (0.56) ALDH1A1MAOAMAOBCYP19A1THRA
SCHEMBL20459850 0.81 MAOA (0.55) ALDH1A1MAOAMAOBCYP19A1THRA
SCHEMBL22047275 0.81 ALDH1A1 (0.60) ALDH1A1MAOAKDM4ENPC1LMNA
SCHEMBL4604247 0.81 MAOA (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 13 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-9850262-B2 Proteasome activity enhancing compounds PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-12-26 — — US disclosed
US-20160333031-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2016-11-17 — — US disclosed
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 — — US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 — — US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
EP-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 — — EP disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 — — WO disclosed
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 — — EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 — — WO disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 — — US disclosed
US-4647579-A Circulation active novel substituted 4-hydroxy-benzopyrans BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 — — 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 (4 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-20160333031-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 ALDH1A1 3439/4885MAOA 3519/4885MAOB 3424/4885
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD ALDH1A1 4190/4885MAOA 2465/4885MAOB 301/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 ALDH1A1 4023/4885MAOA 1516/4885MAOB 1282/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 ALDH1A1 4023/4885MAOA 1516/4885MAOB 1282/4885

“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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