SCHEMBL3750780

SCHEMBL3750780

CC(C)(C)OC1CCN(Cc2ccc(CO)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACHE P22303 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL9688491 0.84 ACHE (0.60) HRH3MEN1KMT2AACHE
SCHEMBL28375594 0.83 LTA4H (0.52) HRH3MEN1KMT2AALDH1A1CYP2D6
SCHEMBL3941806 0.76 ACHE (0.53) HRH3MEN1KMT2AALDH1A1CYP2D6
SCHEMBL3943931 0.76 ACHE (0.53) HRH3MEN1KMT2AALDH1A1CYP2D6
SCHEMBL3941803 0.76 ACHE (0.53) HRH3MEN1KMT2AALDH1A1CYP2D6
SCHEMBL28647437 0.75 BCHE (0.51) HRH3MEN1KMT2AALDH1A1RAB9A
SCHEMBL28641327 0.75 HRH3 (0.61) HRH3OPRK1
SCHEMBL25856039 0.74 HRH3 (0.50) HRH3MEN1KMT2AALDH1A1CYP2D6
SCHEMBL29260128 0.74 KCNA3 (0.53) MEN1KMT2AMAOB
SCHEMBL15033010 0.74 LTA4H (0.49) HRH3MEN1KMT2AALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 — — US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 — — US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 — — US disclosed
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 — — EP disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 — — US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 — — US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 — — US disclosed
CN-101102796-A Benzothiazole formulations and uses thereof ARES TRADING SA (CH) 2008-01-09 — — CN disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 — — EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 — — 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 (1 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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 HRH3 2969/4885MEN1 2013/4885KMT2A 2883/4885

“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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