SCHEMBL153175

SCHEMBL153175

CCN(CC)CCCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LCK P06239 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC2A1 P11166 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 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
SCHEMBL151668 0.92 TSHR (0.48) TSHRLCKSIGMAR1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL27737564 0.88 TSHR (0.50) TSHRLCKSIGMAR1ALDH1A1TDP1
Acetic Acid SCHEMBL5157261 0.87 PAOX (0.40) TSHRLCKSIGMAR1ALDH1A1CYP1A2
SCHEMBL151280 0.84 TSHR (0.57) TSHRLCKALDH1A1TDP1CYP1A2
SCHEMBL64558 0.83
SCHEMBL23388983 0.83 LCK (0.56) TSHRLCKALDH1A1TDP1CYP1A2
SCHEMBL147519 0.82 TSHR (0.62) TSHRLCKALDH1A1TDP1CYP1A2
Hydrochloric Acid SCHEMBL10492840 0.81 LCK (0.44) TSHRLCKALDH1A1TDP1MAPK1
SCHEMBL11141675 0.78 TSHR (0.56) TSHRLCKPLA2G1BPLA2G2AKCNH2
SCHEMBL18755072 0.78 TSHR (0.50) TSHRLCKDRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142167-A1 CATIONIC LIPID ANALOG, AND COMPOSITION AND USE THEREOF 广州立得生物医药科技有限公司 2023-08-03 WO disclosed
EP-2526149-B1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORP (JP) 2017-03-01 EP disclosed
US-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US disclosed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
US-8344066-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2013-01-01 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US disclosed
US-20120059112-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS COMTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-03-08 US disclosed
CN-102361887-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2012-02-22 CN disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
US-4196233-A Process for coating inorganic substrates with carbides, nitrides and/or carbonitrides CIBA-GEIGY CORPORATION (US) 1980-04-01 US disclosed
US-4028142-A ON IRON, BORON, SILICON ANDOR GROUP 4B TO 6B METALS BY DECOMPOSITION TO PRODUCE DIFFUSION LAYERS CIBA-GEIGY CORPORATION (US) 1977-06-07 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 TSHR 3847/4885LCK 4017/4885SIGMAR1 932/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 TSHR 2219/4885LCK 4358/4885SIGMAR1 4736/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 TSHR 2972/4885LCK 4701/4885SIGMAR1 161/4885

“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.