SCHEMBL3456909

SCHEMBL3456909

CN(CCCCCC#N)CCCCCC#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
RAB9A P51151 1/20 0.33
LCK P06239 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
GGPS1 O95749 3/20 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
SCHEMBL14040492 1.00 CHRM2 (0.46) CHRM2TSHRALDH1A1TDP1SIGMAR1
SCHEMBL4640467 0.92 TSHR (0.46) CHRM2TSHRALDH1A1TDP1SIGMAR1
SCHEMBL21077931 0.91 TSHR (0.48) CHRM2TSHRSIGMAR1S1PR2S1PR1
SCHEMBL18281275 0.89 TSHR (0.48) CHRM2TSHRALDH1A1TDP1SIGMAR1
SCHEMBL2827056 0.89 CHRM2 (0.38) CHRM2TSHRALDH1A1S1PR2S1PR1
SCHEMBL16892353 0.86 CHRM2 (0.42) CHRM2TSHRALDH1A1TDP1SIGMAR1
SCHEMBL2824702 0.86 TSHR (0.37) CHRM2TSHRALDH1A1MAPTHPGD
SCHEMBL9797780 0.84 TSHR (0.43) CHRM2TSHRALDH1A1TDP1LCK
SCHEMBL6860256 0.84 TSHR (0.58) TSHRALDH1A1TDP1SIGMAR1RAB9A
SCHEMBL6400745 0.81 TSHR (0.48) CHRM2TSHRSIGMAR1S1PR2S1PR1

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-1900724-B1 Process for the preparation of tertiary amines from primary amines and nitriles INVISTA TECHNOLOGIES SRL (CH) 2014-12-17 EP disclosed
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 CHRM2 909/4885TSHR 3479/4885ALDH1A1 1708/4885

“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.