Sugi Predict

Sugi Predict / Compounds / SCHEMBL4069326

SCHEMBL4069326

SCHEMBL4069326

C=C1CCCc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33

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
SCHEMBL15469456 0.96 TSHR (0.41) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL10196364 0.88 HRH1 (0.42) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4912110 0.85 TSHR (0.43) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL29412464 0.76 CYP2A6 (0.48) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL13813397 0.76 HRH1 (0.37) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL728503 0.76 CYP2A6 (0.48) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL13857918 0.76 HRH1 (0.37) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL3900928 0.76 NPY5R (0.53) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL15395865 0.76 HRH1 (0.41) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4095527 0.75 HRH1 (0.49) HRH1CHRM2HTR1ACHRM1DRD2

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
CN-109912599-A Chemical entities, composition and method 英特利凯恩有限责任公司 2019-06-21 — — CN disclosed
WO-2019060860-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-03-28 — — WO disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 — — US disclosed
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 — — US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 — — US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 — — US disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 — — US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 — — US disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 — — US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 — — US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 — — US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 — — US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 — — US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 — — US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 — — EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 — — US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 HRH1 1584/4885CHRM2 3418/4885HTR1A 4615/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 HRH1 759/4885CHRM2 258/4885HTR1A 150/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN HRH1 3678/4885CHRM2 4701/4885HTR1A 2586/4885
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HRH1 170/4885CHRM2 1559/4885HTR1A 1421/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 HRH1 198/4885CHRM2 1017/4885HTR1A 771/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HRH1 170/4885CHRM2 1559/4885HTR1A 1421/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 HRH1 3624/4885CHRM2 4763/4885HTR1A 2599/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST HRH1 1411/4885CHRM2 4511/4885HTR1A 3389/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 HRH1 759/4885CHRM2 258/4885HTR1A 150/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 HRH1 1584/4885CHRM2 3418/4885HTR1A 4615/4885

“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.