SCHEMBL6121759

SCHEMBL6121759

O=C1CCCc2c(OCc3cc(Cl)ccc3Br)cccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.54
▸ HPD P32754 6/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PTGER1 P34995 2/20 0.42
▸ MAOA P21397 4/20 0.41
▸ MAOB P27338 4/20 0.41
▸ BRD4 O60885 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ABCB1 P08183 2/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37

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
SCHEMBL18829235 0.87 MRGPRX4 (0.53) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL19883576 0.86 MRGPRX4 (0.54) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL17702832 0.80 GAA (0.39) MRGPRX4HPDTSHRMAOAMAOB
SCHEMBL6121177 0.75 MAOA (0.70) HPDMAOAMAOB
SCHEMBL29726325 0.75 MAOA (0.70) HPDMAOAMAOB
SCHEMBL5101144 0.74 MRGPRX4 (0.74) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL31318410 0.74 MRGPRX4 (0.74) MRGPRX4HPDADRB2ADRB1HTR1A
SCHEMBL8753959 0.74 MRGPRX4 (0.57) MRGPRX4ADRB2ADRB1HTR1AADRB3
SCHEMBL28349971 0.74 MRGPRX4 (0.59) MRGPRX4SLC6A4MAOAMAOBABCB1
SCHEMBL5270656 0.72 MRGPRX4 (0.56) MRGPRX4ADRB2ADRB1HTR1AADRB3

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 96 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
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-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-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — 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
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MRGPRX4 3773/4885HPD 3130/4885ADRB2 4732/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885
US-20190337960-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MRGPRX4 3973/4885HPD 4146/4885ADRB2 4653/4885

“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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