SCHEMBL3247641

SCHEMBL3247641

CN(C)N([C]=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
AOC3 Q16853 1/20 0.48
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PYCR1 P32322 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
KMT2A Q03164 2/20 0.42
ADRA2B P18089 1/20 0.41

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
SCHEMBL2265986 0.80 NPC1 (0.47) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL3239790 0.79 ALDH1A1 (0.52) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL967208 0.78 TSHR (0.56) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL26801 0.73 ALDH1A1 (0.60) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL4696748 0.71 TSHR (0.52) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL2584302 0.71 PYCR1 (0.66) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL968494 0.71 ALDH1A1 (0.52) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL11394833 0.70 TSHR (0.64) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL3247850 0.70 ALDH1A1 (0.50) TSHRALDH1A1AOC3LMNANPC1
SCHEMBL2073613 0.70 ALDH1A1 (0.45) TSHRALDH1A1AOC3LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 TSHR 1053/4885ALDH1A1 1651/4885AOC3 327/4885
US-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 TSHR 163/4885ALDH1A1 3177/4885AOC3 150/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TSHR 1173/4885ALDH1A1 2652/4885AOC3 295/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TSHR 1173/4885ALDH1A1 2652/4885AOC3 295/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 TSHR 2306/4885ALDH1A1 874/4885AOC3 662/4885

“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.