SCHEMBL5857518

SCHEMBL5857518

[CH2]C(CCCCC)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
SMPD1 P17405 3/20 0.35
LMNA P02545 1/20 0.33
CA2 P00918 1/20 0.32
DNM1 Q05193 2/20 0.32
FDPS P14324 2/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
TSHR P16473 1/20 0.30
THRB P10828 1/20 0.30
GPR84 Q9NQS5 2/20 0.30

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
SCHEMBL9422673 0.96 SMPD1 (0.37) OPRM1SMPD1LMNACA2DNM1
SCHEMBL5108244 0.93 CA2 (0.33) CA2DNM1
SCHEMBL5101220 0.83
SCHEMBL7562904 0.78
SCHEMBL28309798 0.77 SMPD1 (0.36) OPRM1SMPD1LMNACA2DNM1
SCHEMBL9734928 0.77 OPRM1 (0.37) OPRM1SMPD1LMNA
SCHEMBL28252014 0.76 SMPD1 (0.47) OPRM1SMPD1LMNACA2DNM1
SCHEMBL24627492 0.74 SMPD1 (0.41) OPRM1SMPD1LMNACA2DNM1
SCHEMBL24627696 0.74 SMPD1 (0.41) OPRM1SMPD1LMNACA2DNM1
SCHEMBL4495455 0.74 SMPD1 (0.33) OPRM1SMPD1LMNACA2DNM1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101909-B2 Compound of a ligand of 2-methoxy methylester-6-fluoronaphthalene, an aryl ligand and a linker; each ligand domain capable of binding to a Ca++ channel THERAVANCE, INC. (US) 2006-09-05 US disclosed
US-7067620-B2 Antibacterial agents THERAVANCE, INC. (US) 2006-06-27 US disclosed
US-20050171010-A1 NOVEL ANTIBACTERIAL AGENTS CUMBERLAND PHARMACEUTICALS INC. 2005-08-04 US disclosed
US-6897305-B2 Calcium channel drugs and uses THERAVANCE, INC. (US) 2005-05-24 US disclosed
US-20040242561-A1 Novel calcium channel drugs and uses THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
US-20030073127-A1 NOVEL CALCIUM CHANNEL DRUGS AND USES THERAVANCE BIOPHARMA R&D IP, LLC 2003-04-17 US disclosed
US-20030044845-A1 Novel therapeutic agents for membrane transporters THERAVANCE BIOPHARMA R&D IP, LLC 2003-03-06 US disclosed
US-6518242-B1 Derivatives of glycopeptide antibacterial agents THERAVANCE, INC. 2003-02-11 US disclosed
US-6479498-B1 COMPRISE 2-10 SODIUM CHANNEL LIGANDS COVALENTLY CONNECTED BY A LINKER OR LINKERS THERAVANCE, INC. 2002-11-12 US disclosed
WO-1999064050-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064045-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999063984-A1 NOVEL SODIUM CHANNEL DRUGS AND USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999063992-A1 NOVEL CALCIUM CHANNEL DRUGS AND USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064052-A1 NOVEL LEUKOTRIENE RECEPTOR ANTAGONISTS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064033-A1 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064044-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064040-A1 NOVEL POLYENE MACROLIDE COMPOUNDS AND USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999042476-A1 NOVEL ANTIBACTERIAL AGENTS ADVANCED MEDICINE, INC. (US) 1999-08-26 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 (5 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-20050171010-A1 NOVEL ANTIBACTERIAL AGENTS ENGASE, GALE, MGAM OPRM1 2372/4885SMPD1 538/4885LMNA 4623/4885
US-20030073127-A1 NOVEL CALCIUM CHANNEL DRUGS AND USES CACNB2, CACNA1B, CACNA1F OPRM1 449/4885SMPD1 878/4885LMNA 3326/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 OPRM1 4088/4885SMPD1 32/4885LMNA 4680/4885
US-20030044845-A1 Novel therapeutic agents for membrane transporters SLC47A2, SLC8B1, SLC47A1 OPRM1 1099/4885SMPD1 1391/4885LMNA 4372/4885
US-20040242561-A1 Novel calcium channel drugs and uses CACNB2, CACNA1B, CACNA1F OPRM1 449/4885SMPD1 878/4885LMNA 3326/4885

“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.