SCHEMBL3167858

SCHEMBL3167858

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 5/20 0.31
▸ LMNA P02545 3/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CACNA1S Q13698 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CXCR3 P49682 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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 SCHEMBL3178409 0.99 CYP3A4 (0.42) CYP3A4MAPTLMNAL3MBTL1LTB4R
Hydrochloric Acid SCHEMBL4346901 0.96 CYP3A4 (0.42) CYP3A4MAPTLMNAL3MBTL1LTB4R
Hydrochloric Acid SCHEMBL4348060 0.95 CYP3A4 (0.41) CYP3A4MAPTLMNATP53MDM2
SCHEMBL18857852 0.94 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3174494 0.94 CYP3A4 (0.43) CYP3A4MAPTLMNAL3MBTL1LTB4R
SCHEMBL3164557 0.94 CYP3A4 (0.43) CYP3A4MAPTLMNAL3MBTL1LTB4R
Hydrochloric Acid SCHEMBL4349326 0.93 CYP3A4 (0.42) CYP3A4MAPTLMNAL3MBTL1LTB4R
Hydrochloric Acid SCHEMBL4358470 0.93 CYP3A4 (0.42) CYP3A4MAPTLMNAL3MBTL1LTB4R
SCHEMBL4349247 0.93 CYP3A4 (0.43) CYP3A4MAPTLMNAL3MBTL1TP53
SCHEMBL3158816 0.92 CYP3A4 (0.43) CYP3A4MAPTLMNAL3MBTL1LTB4R

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-20170231966-A1 INHIBITION OF IL-2 PRODUCTION AYUMI PHARMACEUTICAL CORPORATION (JP) 2017-08-17 — — US claimed
US-9650351-B2 Inhibition of IL-2 production AYUMI PHARMACEUTICAL CORPORATION (JP) 2017-05-16 — — US claimed
US-20160046591-A1 INHIBITION OF IL-2 PRODUCTION AYUMI PHARMACEUTICAL CORPORATION (JP) 2016-02-18 — — US claimed
EP-1496053-B1 Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2012-06-20 — — EP claimed
US-7642274-B2 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-05 — — US claimed
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 — — EP claimed
US-20070117853-A1 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD (JP) 2007-05-24 — — US claimed
US-7112598-B2 κ opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-26 — — US claimed
EP-1642590-A1 PAIN THRESHOLD FALL INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 — — EP 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
US-20170231966-A1 INHIBITION OF IL-2 PRODUCTION AYUMI PHARMACEUTICAL CORPORATION (JP) 2017-08-17 — — US disclosed
US-20170231966-A1 INHIBITION OF IL-2 PRODUCTION AYUMI PHARMACEUTICAL CORPORATION (JP) 2017-08-17 — — US disclosed
US-9650351-B2 Inhibition of IL-2 production AYUMI PHARMACEUTICAL CORPORATION (JP) 2017-05-16 — — US disclosed
US-9650351-B2 Inhibition of IL-2 production AYUMI PHARMACEUTICAL CORPORATION (JP) 2017-05-16 — — 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
EP-1642590-A1 PAIN THRESHOLD FALL INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 — — EP 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 (5 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-20070117853-A1 Inhibitor of pain threshold decrease OPRD1, OPRK1, OPRL1 CYP3A4 1912/4885MAPT 1463/4885LMNA 4198/4885
US-20160046591-A1 INHIBITION OF IL-2 PRODUCTION IL2, IL2RA, IL4 CYP3A4 1489/4885MAPT 4114/4885LMNA 4771/4885
US-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative OPRK1, OPRD1, OPRL1 CYP3A4 361/4885MAPT 1694/4885LMNA 4376/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 CYP3A4 701/4885MAPT 1944/4885LMNA 4619/4885
US-20170231966-A1 INHIBITION OF IL-2 PRODUCTION IL2, IL2RA, IL4 CYP3A4 1489/4885MAPT 4114/4885LMNA 4771/4885

“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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