Sugi Predict

Sugi Predict / Compounds / SCHEMBL2705982

SCHEMBL2705982

SCHEMBL2705982

CC(C)[C@@H]1Cc2ccccc2N1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ PRKCG P05129 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR2A P28223 4/20 0.36
▸ HTR2C P28335 4/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36

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
SCHEMBL4737682 1.00 DRD2 (0.40) DRD2DRD4NOTUMPRKCGPRKCA
SCHEMBL13247994 0.82 OPRM1 (0.40) L3MBTL1LMNAHTR2CHTR2BADRA2A
SCHEMBL4737685 0.82 OPRM1 (0.40) L3MBTL1LMNAHTR2CHTR2BADRA2A
SCHEMBL13831608 0.79 NOTUM (0.50) NOTUML3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL9980224 0.79 PRKCG (0.47) DRD2DRD4NOTUMPRKCGPRKCA
SCHEMBL7674419 0.79 NOTUM (0.50) NOTUML3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL13523574 0.79 PRKCG (0.47) DRD2DRD4NOTUMPRKCGPRKCA
SCHEMBL13831594 0.79 NOTUM (0.50) NOTUML3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL26644945 0.78 AADAT (0.41) NOTUML3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL28253302 0.78 DRD2 (0.40) DRD2DRD4NOTUMPRKCGPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 — — US disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 — — WO disclosed
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors GILEAD SCIENCES, INC. (US) 2023-08-29 — — US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US 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
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 — — US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 — — US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 — — US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — 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

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

For each of this compound's patents that has machine-readable text (8 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 DRD2 4056/4885DRD4 1743/4885NOTUM 3000/4885
US-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 DRD2 193/4885DRD4 260/4885NOTUM 3266/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DRD2 4056/4885DRD4 1743/4885NOTUM 3000/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DRD2 4056/4885DRD4 1743/4885NOTUM 3000/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DRD2 4056/4885DRD4 1743/4885NOTUM 3000/4885
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors HAVCR2, EIF2AK2, HSP90B1 DRD2 4860/4885DRD4 4844/4885NOTUM 2690/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DRD2 4056/4885DRD4 1743/4885NOTUM 3000/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DRD2 4056/4885DRD4 1743/4885NOTUM 3000/4885

“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.