SCHEMBL4346239

SCHEMBL4346239

COc1ccc(OCCCN(C)C(C)C)c(C2Sc3cc(Cl)ccc3N2C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ LTB4R Q15722 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MDM2 Q00987 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CACNA1S Q13698 2/20 0.33
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 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
Hydrochloric Acid SCHEMBL4345866 0.99 CYP3A4 (0.46) CYP3A4LTB4RTP53MDM2ESR1
SCHEMBL4354373 0.95 CYP3A4 (0.46) CYP3A4LTB4RTP53MDM2ESR1
SCHEMBL4344795 0.92 CYP3A4 (0.45) CYP3A4LTB4RTP53MDM2CACNA1S
Hydrochloric Acid SCHEMBL4357331 0.92 CYP3A4 (0.44) CYP3A4LTB4RTP53MDM2CACNA1S
SCHEMBL3159007 0.92 CYP3A4 (0.44) CYP3A4LTB4RTP53MDM2MAPT
Hydrochloric Acid SCHEMBL4353207 0.91 CYP3A4 (0.44) CYP3A4LTB4RTP53MDM2MAPT
SCHEMBL4349247 0.90 CYP3A4 (0.43) CYP3A4TP53MDM2MAPTLMNA
Hydrochloric Acid SCHEMBL4350476 0.90 CYP3A4 (0.43) CYP3A4TP53MDM2MAPTLMNA
SCHEMBL18857852 0.90 CYP3A4 (0.43) CYP3A4TDP1L3MBTL1ALDH1A1MEN1
SCHEMBL3167858 0.90 CYP3A4 (0.43) CYP3A4LTB4RTP53MDM2CACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 — — EP claimed
US-7112598-B2 κ opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-26 — — US claimed
US-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD (JP) 2005-05-26 — — US claimed
EP-1496053-A1 KAPPA-OPIOID RECEPTOR AGONIST COMPRISING 2-PHENYLBENZOTHIAZOLINE DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-12 — — EP claimed
EP-1496053-B1 Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2012-06-20 — — EP disclosed
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 — — EP disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 — — US disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 — — US disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 — — US disclosed
US-7112598-B2 κ opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-26 — — US disclosed
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-14 — — US disclosed
US-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD (JP) 2005-05-26 — — US disclosed
EP-1496053-A1 KAPPA-OPIOID RECEPTOR AGONIST COMPRISING 2-PHENYLBENZOTHIAZOLINE DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-12 — — 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 (2 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-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative OPRK1, OPRD1, OPRL1 CYP3A4 361/4885LTB4R 542/4885TP53 4766/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 CYP3A4 701/4885LTB4R 21/4885TP53 4846/4885

“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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