SCHEMBL5609796

SCHEMBL5609796

Cc1ccccc1CCC[NH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
CHRM2 P08172 1/20 0.42
DAO P14920 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP2A13 Q16696 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL5609742 0.93 TAAR1 (0.54) TAAR1CHRM2DAOCA12CA1
SCHEMBL5236129 0.86 TAAR1 (0.60) TAAR1CHRM2DAOCA12CA1
SCHEMBL6546881 0.85 TAAR1 (0.65) TAAR1CHRM2DAOCA12CA1
SCHEMBL6546757 0.85 TAAR1 (0.65) TAAR1CHRM2DAOCA12CA1
SCHEMBL8086316 0.83 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8094982 0.83 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8098360 0.83 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8103734 0.83 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8093093 0.83 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8099979 0.83 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885CHRM2 2689/4885DAO 4468/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 TAAR1 1263/4885CHRM2 3380/4885DAO 289/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885CHRM2 2689/4885DAO 4468/4885

“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.