SCHEMBL3629271

SCHEMBL3629271

C1CCCC2CNCC(CC1)N2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL4285906 1.00 MAPK1 (0.32) MAPK1CCR5
SCHEMBL1449497 0.97 CCR5 (0.33) CCR5
SCHEMBL23505391 0.90
SCHEMBL702038 0.90
SCHEMBL17652515 0.83
SCHEMBL1947185 0.83
SCHEMBL23253901 0.83
SCHEMBL56633 0.83
Hydrochloric Acid SCHEMBL29500392 0.80
Hydrochloric Acid SCHEMBL5241311 0.80 CCR5 (0.35) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed
EP-2709609-B1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO (JP) 2017-10-04 EP disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
EP-2604598-B1 TRPV1 antagonists and uses thereof PURDUE PHARMA LP (US) 2016-04-06 EP disclosed
US-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8889690-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2014-11-18 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
EP-2585446-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF Shionogi&Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2012158844-A1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO., LTD. (JP) 2012-11-22 WO disclosed
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-07-12 US disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 WO disclosed
EP-2142529-A2 TRPV1 ANTAGONISTS AND USES THEREOF Purdue Pharma LP (US) 2010-01-13 EP disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 US disclosed
WO-2008132600-A2 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA L.P. (DE) 2008-11-06 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 (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-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAPK1 1863/4885CCR5 398/4885
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MAPK1 2488/4885CCR5 465/4885
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MAPK1 2488/4885CCR5 465/4885
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 MAPK1 1718/4885CCR5 340/4885
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAPK1 1863/4885CCR5 398/4885
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAPK1 1863/4885CCR5 398/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 MAPK1 1863/4885CCR5 398/4885
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MAPK1 2187/4885CCR5 605/4885

“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.