SCHEMBL1877592

SCHEMBL1877592

COc1cccc(Oc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ PGR P06401 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ LPAR1 Q92633 1/20 0.62
▸ LPAR5 Q9H1C0 1/20 0.62
▸ SRD5A2 P31213 3/20 0.61
▸ AKR1C3 P42330 1/20 0.61
▸ MTNR1B P49286 4/20 0.60
▸ MTNR1A P48039 3/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ RXRA P19793 1/20 0.57
▸ HSD17B1 P14061 1/20 0.56
▸ HSD17B2 P37059 1/20 0.56
▸ TTR P02766 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54

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
SCHEMBL2708209 0.91 SRD5A2 (0.71) KDM4EPOLBSRD5A2AKR1C3RXRA
Hydrochloric Acid SCHEMBL2710360 0.89 SRD5A2 (0.69) KDM4EPOLBSRD5A2AKR1C3RXRA
Hydrochloric Acid SCHEMBL2710358 0.89 SRD5A2 (0.69) KDM4EPOLBSRD5A2AKR1C3RXRA
SCHEMBL9702751 0.88 KDM4E (0.77) CA1CA2KDM4EPOLBLPAR1
SCHEMBL16378706 0.88 MTNR1B (0.62) PGRKDM4EPOLBSRD5A2MTNR1B
SCHEMBL2867923 0.88 AKR1C3 (0.73) PGRKDM4EPOLBAKR1C3SMN1; SMN2
SCHEMBL28600429 0.87 CA1 (0.70) CA1CA2KDM4EPOLBSRD5A2
SCHEMBL2857877 0.86 AKR1C3 (0.77) CA1CA2PGRKDM4EPOLB
SCHEMBL16429487 0.86 AKR1C3 (0.82) KDM4EPOLBSRD5A2AKR1C3
SCHEMBL2511835 0.85 CA1 (0.87) CA1CA2KDM4EPOLBSRD5A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773352-B1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RES TRIANGLE INST (US) 2017-06-28 — — EP disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 — — US disclosed
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-01-01 — — US disclosed
EP-2773352-A2 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS Research Triangle Institute, International (US) 2014-09-10 — — EP disclosed
WO-2013086496-A2 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 — — WO disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 — — US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 — — US disclosed
WO-2009146112-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-03 — — WO disclosed
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders 7TM PHARMA A/S (DK) 2006-10-19 — — US disclosed
EP-1497260-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM Pharma A/S (DK) 2005-01-19 — — EP disclosed
WO-2003087045-A1 NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM PHARMA A/S (DK) 2003-10-23 — — 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 (3 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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 CA1 3622/4885CA2 1665/4885PGR 3869/4885
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRD1 CA1 4184/4885CA2 3930/4885PGR 163/4885
US-20060235035-A1 Novel methoxybenzamibe compounds for use in mch receptor related disorders GPR119, MCHR2, HCRTR2 CA1 4551/4885CA2 2139/4885PGR 1543/4885

“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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