SCHEMBL6121024

SCHEMBL6121024

C[C@H]1CC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
CYP2C19 P33261 1/20 0.48
HCRTR2 O43614 1/20 0.47
AGTR2 P50052 4/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL6121028 1.00 HTR2C (0.63) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL7646354 1.00 HTR2C (0.63) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL7950602 1.00 HTR2C (0.63) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL1509015 1.00 HTR2C (0.63) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL3652770 0.90 HTR2C (0.76) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL16467962 0.90 HTR2C (0.76) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL15924239 0.87 HTR2C (0.57) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL13567884 0.85 HTR2C (0.55) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL3941416 0.84 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4431805 0.84 HTR2C (0.72) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 EP disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 US disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20200071337-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 US disclosed
US-20190337960-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-11-07 US disclosed
US-20190276468-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-09-12 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
EP-2635588-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-11 EP disclosed
US-20130177530-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-07-11 US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 US disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
US-6479480-B1 1H-INDOLE DERIVATIVES BEARING AN OPTIONALLY SUBSTITUTED PHENYL MOIETY AT THE 2-POSITION OF THE INDOLE RING SYSTEM AND A METHYLENE-LINKED HETEROCYCLIC MOIETY AT THE 3-POSITION OF THE INDOLE RING SYSTEM; SCHIZOPHRENIA TREATMENT MERCK SHARP & DOHME LTD. (GB) 2002-11-12 US disclosed
WO-2000005229-A1 PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-02-03 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 (11 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-20130177530-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HTR2C 4557/4885SMN1; SMN2 1564/4885NPC1 516/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HTR2C 4557/4885SMN1; SMN2 1564/4885NPC1 516/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885
US-20190337960-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HTR2C 4422/4885SMN1; SMN2 816/4885NPC1 712/4885

“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.