SCHEMBL6845595

SCHEMBL6845595

C=C(C)C(=O)NCCC(C)N(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA4 P43681 2/20 0.40
ANPEP P15144 3/20 0.33
RNPEP Q9H4A4 3/20 0.33
DNPEP Q9ULA0 2/20 0.33
TGFBR1 P36897 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
CHRNA3 P32297 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL2802696 0.90 CCR2 (0.34) CHRNB2CHRNB4CHRNA4TGFBR1
SCHEMBL11278512 0.89 DPP7 (0.35) CHRNB2CHRNB4CHRNA4TGFBR1
SCHEMBL1903516 0.82 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA4ANPEPRNPEP
SCHEMBL2467198 0.82 TGFBR1 (0.34) TGFBR1RXFP1
SCHEMBL18573257 0.82 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA4CHRNA3
SCHEMBL30639002 0.80 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA4ANPEPRNPEP
SCHEMBL3235398 0.77 ANPEP (0.52) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
Sulfuric Acid SCHEMBL9442217 0.77 TGFBR1 (0.34) TGFBR1
SCHEMBL157717 0.76 ALDH1A1 (0.45) CHRNB2CHRNB4CHRNA4ANPEPRNPEP
SCHEMBL14413834 0.76 TGFBR1 (0.37) CHRNB2CHRNB4CHRNA4ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770293-B2 FOR USE IN COSMETIC APPLICATIONS, APPLICATIONS IN CROP PROTECTION, FOR CLEANERS OR FOOD SUPPLEMENTS BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
US-20020119169-A1 Soft capsules comprising polymers of vinyl esters and polyethers, the use and production thereof BASF AKTIENGESELLSCHAFT (DE) 2002-08-29 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 (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-20020119169-A1 Soft capsules comprising polymers of vinyl esters and polyethers, the use and production thereof RPS4Y1, PUF60, ELOVL3 CHRNB2 4858/4885CHRNB4 4821/4885CHRNA4 4737/4885

“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.