SCHEMBL3456784

SCHEMBL3456784

CCCN(CCCCCC#N)CCCCCC#N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LCK P06239 1/20 0.45
DRD3 P35462 1/20 0.34
DNM1 Q05193 3/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 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
SCHEMBL13844254 0.96 LCK (0.52) TSHRLCKDRD3DNM1ZDHHC20
SCHEMBL151280 0.90 TSHR (0.57) TSHRLCKDRD3ALDH1A1TDP1
SCHEMBL8035581 0.90 LCK (0.52) TSHRLCKALDH1A1TDP1MAPT
SCHEMBL17451526 0.90 LCK (0.52) TSHRLCKALDH1A1TDP1MAPT
SCHEMBL11141675 0.88 TSHR (0.56) TSHRLCKDNM1ZDHHC20ZDHHC2
SCHEMBL23389008 0.87 LCK (0.54) TSHRLCKALDH1A1TDP1MAPT
SCHEMBL11137053 0.84 LCK (0.54) TSHRLCKDRD3DNM1ZDHHC20
SCHEMBL3145967 0.84 LCK (0.54) TSHRLCKDRD3DNM1ZDHHC20
SCHEMBL4457197 0.84 LCK (0.54) TSHRLCKDRD3DNM1ZDHHC20
SCHEMBL6153439 0.84 LCK (0.54) TSHRLCKDRD3DNM1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900724-B1 Process for the preparation of tertiary amines from primary amines and nitriles INVISTA TECHNOLOGIES SRL (CH) 2014-12-17 EP disclosed
EP-2264006-A1 Process for the preparation of tertiary amines from primary amines and nitriles Invista Technologies S.à.r.l. (CH) 2010-12-22 EP disclosed
EP-1444193-B1 PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES INVISTA TECH SARL (CH) 2008-10-08 EP disclosed
EP-1900724-A2 Process for the preparation of tertiary amines from primary amines and nitriles Invista Technologies S.a.r.l. (CH) 2008-03-19 EP disclosed
EP-1444193-A4 PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES DU PONT (US) 2006-02-15 EP disclosed
CN-1547602-A Acid-dyeable polymer compositions ��Ļ���Ű˾ 2004-11-17 CN disclosed
EP-1444193-A2 PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES E. I. du Pont de Nemours and Company (US) 2004-08-11 EP disclosed
EP-1419196-A1 ACID DYEABLE POLYMER COMPOSITIONS INVISTA Technologies S.à.r.l. (US) 2004-05-19 EP disclosed
US-6723799-B2 BLENDS OF POLYESTER WITH NYLON; FIBERS, FABRICS AND FILMS E I. DU PONT DE NEMOURS AND COMPANY 2004-04-20 US disclosed
US-6600075-B1 Preparing tertiary amine compounds from primary amines and nitrites in the presence of hydrogen gas and a metal catalyst, or metal-containing catalyst composition, at a temperature from about 50 degrees C. to about 200 degrees C. E. I. DU PONT DE NEMOURS AND COMPANY 2003-07-29 US disclosed
US-20030135052-A1 PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES INVISTA NORTH AMERICA S.A.R.L. 2003-07-17 US disclosed
WO-2003042134-A2 PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-22 WO disclosed
US-20030083441-A1 Acid dyeable polymer compositions INVISTA NORTH AMERICA S.A.R.L. 2003-05-01 US disclosed
WO-2003018689-A1 ACID DYEABLE POLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-06 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 (1 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-20030135052-A1 PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES NOS2, NOS1, PNMT TSHR 3479/4885LCK 3484/4885DRD3 457/4885

“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.