SCHEMBL205696

SCHEMBL205696

CC(C)(C)OC(=O)N1CCCC1c1cnc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ HCRTR1 O43613 2/20 0.46
▸ HCRTR2 O43614 2/20 0.46
▸ UCHL1 P09936 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ USP30 Q70CQ3 3/20 0.41
▸ TSHR P16473 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL2707857 0.94 HCRTR1 (0.48) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL17063867 0.89 HCRTR1 (0.56) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL17063868 0.89 HCRTR1 (0.56) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL2707228 0.88 HCRTR1 (0.47) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL204742 0.86 HCRTR1 (0.43) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL2708607 0.85 CYP3A4 (0.54) HCRTR1HCRTR2
SCHEMBL749507 0.85 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL17145377 0.84 HCRTR1 (0.43) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL3298921 0.84 ALDH1A1 (0.46) KMT2AHCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL3298919 0.84 ALDH1A1 (0.46) KMT2AHCRTR1HCRTR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 — — EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 — — 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
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
EP-2857394-A1 Antiviral compounds Gilead Pharmasset LLC (US) 2015-04-08 — — EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 — — EP 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-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
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — 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 (3 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 KMT2A 3803/4885HCRTR1 4298/4885HCRTR2 4654/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885HCRTR1 4298/4885HCRTR2 4654/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885HCRTR1 4298/4885HCRTR2 4654/4885

“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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