SCHEMBL4810407

SCHEMBL4810407

CC(=O)N1CCC(NCC(=O)O)CC1.NC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
CRBN Q96SW2 1/20 0.41
SMYD3 Q9H7B4 3/20 0.41
MCHR1 Q99705 3/20 0.41
HSD17B3 P37058 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.38
F10 P00742 1/20 0.38
ENPP2 Q13822 1/20 0.38
PRMT5 O14744 1/20 0.38

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
SCHEMBL7122197 0.82 ALDH1A1 (0.43) OPRM1OPRD1OPRK1SMYD3MCHR1
SCHEMBL7121817 0.76 HSD17B3 (0.41) OPRM1OPRD1OPRK1MCHR1HSD17B3
Glycine SCHEMBL7128369 0.72 ALDH1A1 (0.61) SMYD3HSD17B3ALDH1A1
SCHEMBL29543577 0.71 ALDH1A1 (0.68) SMYD3HSD17B3ALDH1A1
SCHEMBL1719205 0.71 ALDH1A1 (0.68) SMYD3HSD17B3ALDH1A1
SCHEMBL29410879 0.69 ALDH1A1 (0.62) SMYD3HSD17B3ALDH1A1
SCHEMBL368131 0.69 ALDH1A1 (0.62) SMYD3HSD17B3ALDH1A1
SCHEMBL4120190 0.68 EPHX2 (0.60) ALDH1A1
SCHEMBL15759183 0.68 ADRB3 (0.42) ALDH1A1KDM4E
SCHEMBL16526953 0.67 ALDH1A1 (0.60) SMYD3HSD17B3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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 (4 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 OPRM1 1760/4885OPRD1 1326/4885OPRK1 1174/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 OPRM1 3757/4885OPRD1 1006/4885OPRK1 3764/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 OPRM1 1789/4885OPRD1 1329/4885OPRK1 1437/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 OPRM1 1760/4885OPRD1 1326/4885OPRK1 1174/4885

“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.