SCHEMBL3386074

SCHEMBL3386074

OC1(C2(Sc3ccccc3)CC2)CCCCC1COCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
TSHR P16473 1/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 2/20 0.31
SGMS2 Q8NHU3 1/20 0.31
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
PDE4A P27815 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL25416146 0.76 SLC18A3 (0.40) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL3388692 0.74 TSHR (0.42) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL9957770 0.74 TSHR (0.42) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL28322822 0.70 OPRM1 (0.39) MEN1KMT2AOPRM1CHRM2CHRM1
SCHEMBL3387736 0.69 TAAR1 (0.38) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL3382310 0.68 LMNA (0.39) CTSLCTSBCTSKTSHRALDH1A1
SCHEMBL9403491 0.65 TSHR (0.39) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL4677170 0.65 TSHR (0.54) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL24007626 0.65 TSHR (0.41) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL31400990 0.64 TSHR (0.38) CTSLCTSBCTSKTSHRTAAR1

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 CTSL 3193/4885CTSB 2528/4885CTSK 2952/4885
US-20080103178-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives OPRL1, OPRK1, GPR119 CTSL 3193/4885CTSB 2528/4885CTSK 2952/4885

“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.