SCHEMBL3174494

SCHEMBL3174494

COc1ccc(OCCCN(CCO)C(C)C)c(C2Sc3ccc(Cl)cc3N2C(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 5/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ NLRP1 Q9C000 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TSPO P30536 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ RBM17 Q96I25 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31

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 SCHEMBL4358470 0.99 CYP3A4 (0.42) CYP3A4MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL3167858 0.94 CYP3A4 (0.43) CYP3A4MAPTLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3178409 0.93 CYP3A4 (0.42) CYP3A4MAPTLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4347973 0.93 CYP3A4 (0.42) CYP3A4MAPTLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4346901 0.90 CYP3A4 (0.42) CYP3A4MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4347033 0.90 CYP3A4 (0.53) CYP3A4MAPTLMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL4348060 0.89 CYP3A4 (0.41) CYP3A4MAPTLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4341745 0.89 CYP3A4 (0.52) CYP3A4MAPTLMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL4342417 0.89 CYP3A4 (0.44) CYP3A4MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4351878 0.88 CYP3A4 (0.41) CYP3A4MAPTLMNATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496053-B1 Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2012-06-20 — — EP claimed
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-1496053-B1 Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2012-06-20 — — EP disclosed
US-7642274-B2 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-05 — — US disclosed
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 — — 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-20070117853-A1 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD (JP) 2007-05-24 — — 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 (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-20070117853-A1 Inhibitor of pain threshold decrease OPRD1, OPRK1, OPRL1 CYP3A4 1912/4885MAPT 1463/4885LMNA 4198/4885
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

“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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