SCHEMBL5494333

SCHEMBL5494333

CCCCCCCCC1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GNAO1 P09471 13/20 0.61
▸ GNAI3 P08754 12/20 0.56
▸ GNAI1 P63096 12/20 0.56
▸ CYP1A2 P05177 1/20 0.48
▸ EPHX1 P07099 2/20 0.43
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9388213 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2EPHX1
SCHEMBL9385204 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2EPHX1
SCHEMBL9389331 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2EPHX1
SCHEMBL9383358 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2EPHX1
SCHEMBL7345197 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2EPHX1
SCHEMBL9384220 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2EPHX1
SCHEMBL9388856 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2EPHX1
Hydrochloric Acid SCHEMBL26090986 0.98 GNAO1 (0.64) GNAO1GNAI3GNAI1CYP1A2EPHX1
SCHEMBL1368752 0.98 GNAO1 (0.58) GNAO1GNAI3GNAI1CYP1A2EPHX1
Hydrochloric Acid SCHEMBL7645440 0.95 GNAO1 (0.61) GNAO1GNAI3GNAI1CYP1A2ITGB3

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-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 — — US disclosed
US-20200347050-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-11-05 — — US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 — — US disclosed
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 — — US disclosed
US-9802922-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 — — US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 — — US disclosed
US-9409122-B2 Gas capture process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-08-09 — — US disclosed
US-20140127103-A1 GAS CAPTURE PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2014-05-08 — — US disclosed
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 — — US disclosed
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 — — US disclosed
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 — — EP disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 — — EP disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 — — US disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 — — EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 — — US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 — — WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 — — WO disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 — — WO disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 — — EP 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-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC GNAO1 2827/4885GNAI3 2396/4885GNAI1 2505/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC GNAO1 2827/4885GNAI3 2396/4885GNAI1 2505/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 GNAO1 2511/4885GNAI3 945/4885GNAI1 748/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 GNAO1 981/4885GNAI3 1362/4885GNAI1 1562/4885
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 GNAO1 943/4885GNAI3 534/4885GNAI1 377/4885
US-20200347050-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 GNAO1 1538/4885GNAI3 648/4885GNAI1 691/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 GNAO1 2556/4885GNAI3 949/4885GNAI1 1385/4885

“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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