SCHEMBL3754883

SCHEMBL3754883

CN1CCN(C(=O)c2ccc(CO)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.66
POLB P06746 3/20 0.65
HPGD P15428 6/20 0.61
ALOX15 P16050 1/20 0.61
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CHKA P35790 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
GRM5 P41594 1/20 0.56
NPC1 O15118 1/20 0.56
TSHR P16473 1/20 0.54
FABP6 P51161 1/20 0.53
USP2 O75604 1/20 0.53
EPHX2 P34913 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL10724841 0.87 POLB (0.81) HRH3POLBHPGDALOX15LMNA
SCHEMBL11955563 0.86 HRH3 (0.66) HRH3POLBHPGDALOX15LMNA
SCHEMBL16281084 0.85 HRH3 (0.64) HRH3POLBHPGDALOX15LMNA
SCHEMBL2377726 0.85 HRH3 (0.64) HRH3POLBHPGDALOX15LMNA
Hydrochloric Acid SCHEMBL7016300 0.83 HRH3 (0.67) HRH3POLBHPGDALOX15LMNA
SCHEMBL5797269 0.82 HPGD (0.74) HRH3HPGDLMNASMN1; SMN2KMT2A
SCHEMBL2379445 0.82 HRH3 (0.61) HRH3POLBHPGDALOX15LMNA
SCHEMBL13461837 0.82 HPGD (0.65) HRH3POLBHPGDALOX15LMNA
SCHEMBL20672117 0.82 HPGD (0.65) HRH3POLBHPGDALOX15LMNA
SCHEMBL2377995 0.82 HRH3 (0.61) HRH3POLBHPGDALOX15LMNA

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 2969/4885POLB 4351/4885HPGD 1499/4885

“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.