SCHEMBL3387736

SCHEMBL3387736

c1ccc(COCC2CCCCC23OCCO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
HRH4 Q9H3N8 4/20 0.35
HRH3 Q9Y5N1 4/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
TACR1 P25103 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL9403491 0.96 TSHR (0.39) TAAR1LMNATSHRCTSLCTSB
SCHEMBL3388692 0.80 TSHR (0.42) TAAR1LMNATSHRCTSLCTSB
SCHEMBL9957770 0.80 TSHR (0.42) TAAR1LMNATSHRCTSLCTSB
SCHEMBL25416146 0.76 SLC18A3 (0.40) TAAR1LMNATSHRCTSLCTSB
SCHEMBL3382310 0.73 LMNA (0.39) TAAR1LMNATSHRCTSLCTSB
SCHEMBL1809933 0.72 CTSL (0.45) TAAR1LMNATSHRCTSLCTSB
SCHEMBL18616170 0.72 OPRM1 (0.40) CTSLCTSBCTSKHRH3TACR1
SCHEMBL31455123 0.72 CYP2C9 (0.42) TAAR1LMNATSHRCTSLCTSB
SCHEMBL28322822 0.70 OPRM1 (0.39) SLC6A2SLC6A4OPRM1
SCHEMBL4677170 0.70 TSHR (0.54) TAAR1LMNATSHRCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
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 (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-20070015792-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives OPRL1, OPRK1, GPR119 TAAR1 35/4885LMNA 2643/4885TSHR 351/4885
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 TAAR1 647/4885LMNA 4784/4885TSHR 168/4885
US-20080103178-A1 N-dihydroxyalkyl-substituted 2-oxo-imidazole derivatives OPRL1, OPRK1, GPR119 TAAR1 35/4885LMNA 2643/4885TSHR 351/4885

“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.