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SCHEMBL608156

SCHEMBL608156

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ NPC1 O15118 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PKM P14618 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ USP30 Q70CQ3 1/20 0.52
▸ F2 P00734 1/20 0.51
▸ FPR3 P25089 1/20 0.49
▸ FPR2 P25090 1/20 0.49
▸ UCHL1 P09936 1/20 0.48
▸ SCN5A Q14524 1/20 0.47
▸ SCN3A Q9NY46 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL205331 1.00 ALDH1A1 (0.62) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL14322166 0.92 ALDH1A1 (0.53) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL14322164 0.92 ALDH1A1 (0.53) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL22163586 0.90 ALDH1A1 (0.63) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL28923360 0.89 ALDH1A1 (0.55) ALDH1A1NPC1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL13374829 0.89 ALDH1A1 (0.74) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL22399147 0.89 ALDH1A1 (0.62) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL6508896 0.89 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL4366597 0.89 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL5173012 0.89 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016967-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-02-06 — — EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 — — EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 — — US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 — — EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 — — US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 — — US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 — — US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 — — US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
WO-2010096777-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-08-26 — — 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 (7 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20120040977-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ALDH1A1 3492/4885NPC1 122/4885SMN1; SMN2 4634/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885

“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.