SCHEMBL5831087

SCHEMBL5831087

N#CCCNC1CCC(NCCC#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.39
JAK2 O60674 3/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 4/20 0.34
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL1190555 1.00
SCHEMBL21089261 0.93 JAK1 (0.36) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL6977767 0.90
SCHEMBL2751529 0.90 SMN1; SMN2 (0.39) JAK1JAK2DPP4SMN1; SMN2DPP8
SCHEMBL21781847 0.89 JAK1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL21782065 0.89 ALDH1A1 (0.38) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL9342162 0.89 JAK1 (0.35) JAK1JAK2TYK2JAK3DPP4
SCHEMBL15014481 0.89 ALDH1A1 (0.38) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL3167403 0.88 DPP4 (0.40) ALDH1A1DPP4SMN1; SMN2DPP8DPP9
SCHEMBL6160369 0.88 DPP4 (0.40) ALDH1A1DPP4SMN1; SMN2DPP8DPP9

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-7026514-B2 Compounds used to treat alcoholism GARBIL PHARMA INVESTIGACION CHILE LTDA. (CL) 2006-04-11 US claimed
US-20040180967-A1 A physiologically-hydrolysable and acceptable amide of the compound of N,N'-bis(3-aminopropylbenzene-1,4-diamine and an acid;advantage being the anti-alcoholism activity lasts for some time after the treatment period, allowing a decrease in the dose, or a total cure; side effect reduction GARBIL PHARMA INVESTIGACION CHILE LTDA. (CL) 2004-09-16 US claimed
EP-1403243-A1 COMPOUNDS USED TO TREAT ALCOHOLISM Garbil Pharma Investigacion Chile Ltda. (CL) 2004-03-31 EP claimed
US-7026514-B2 Compounds used to treat alcoholism GARBIL PHARMA INVESTIGACION CHILE LTDA. (CL) 2006-04-11 US disclosed
US-7026514-B2 Compounds used to treat alcoholism GARBIL PHARMA INVESTIGACION CHILE LTDA. (CL) 2006-04-11 US disclosed
US-20040180967-A1 A physiologically-hydrolysable and acceptable amide of the compound of N,N'-bis(3-aminopropylbenzene-1,4-diamine and an acid;advantage being the anti-alcoholism activity lasts for some time after the treatment period, allowing a decrease in the dose, or a total cure; side effect reduction GARBIL PHARMA INVESTIGACION CHILE LTDA. (CL) 2004-09-16 US disclosed
US-20040180967-A1 A physiologically-hydrolysable and acceptable amide of the compound of N,N'-bis(3-aminopropylbenzene-1,4-diamine and an acid;advantage being the anti-alcoholism activity lasts for some time after the treatment period, allowing a decrease in the dose, or a total cure; side effect reduction GARBIL PHARMA INVESTIGACION CHILE LTDA. (CL) 2004-09-16 US disclosed
EP-1403243-A1 COMPOUNDS USED TO TREAT ALCOHOLISM Garbil Pharma Investigacion Chile Ltda. (CL) 2004-03-31 EP disclosed
EP-1403243-A1 COMPOUNDS USED TO TREAT ALCOHOLISM Garbil Pharma Investigacion Chile Ltda. (CL) 2004-03-31 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 (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-20040180967-A1 A physiologically-hydrolysable and acceptable amide of the compound of N,N'-bis(3-aminopropylbenzene-1,4-diamine and an acid;advantage being the anti-alcoholism activity lasts for some time after the treatment period, allowing a decrease in the dose, or a total cure; side effect reduction NAAA, ADH1A, ADH1C JAK1 4558/4885JAK2 4767/4885TYK2 4221/4885

“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.