SCHEMBL3388692

SCHEMBL3388692

c1ccc(COCC2CCCCC23CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TACR1 P25103 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
OPRM1 P35372 2/20 0.37
DPP4 P27487 1/20 0.35
OPRL1 P41146 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL9957770 0.97 TSHR (0.42) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL25416146 0.81 SLC18A3 (0.40) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL3387736 0.80 TAAR1 (0.38) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL3382310 0.77 LMNA (0.39) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL9403491 0.75 TSHR (0.39) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL4677170 0.74 TSHR (0.54) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL3386074 0.74 CTSL (0.33) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL30585229 0.74 DUSP3 (0.39) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL2701945 0.73 CTSL (0.53) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL31297874 0.73 LMNA (0.43) TSHRCTSLCTSBCTSKTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914232-B1 N-DIHYDROXYALKYL-SUBSTITUTED 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2010-12-15 EP disclosed
US-20080103178-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives MSD K.K. (JP) 2008-05-01 US disclosed
EP-1914232-A1 N-DIHYDROXYALKYL-SUBSTITUTED 2-OXOIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-23 EP disclosed
US-7300947-B2 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-11-27 US disclosed
US-20070015792-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives MSD K.K. (JP) 2007-01-18 US 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-20070015792-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives OPRL1, OPRK1, GPR119 TSHR 351/4885CTSL 3193/4885CTSB 2528/4885
US-20080103178-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives OPRL1, OPRK1, GPR119 TSHR 351/4885CTSL 3193/4885CTSB 2528/4885

“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.