SCHEMBL4803576

SCHEMBL4803576

COC(=O)CN1CCc2cc[c]cc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
AOC3 Q16853 2/20 0.39
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6233823 0.92 ALDH1A1 (0.44) NOTUMALDH1A1MEN1KMT2ACHRM2
SCHEMBL6234280 0.81 ALDH1A1 (0.44) NOTUMALDH1A1MEN1KMT2ACHRM2
SCHEMBL5859165 0.80 NOTUM (0.59) NOTUMALDH1A1MEN1KMT2ACHRM2
SCHEMBL6716466 0.79 REN (0.48) NOTUMCHRM2CHRM3
SCHEMBL6232687 0.79 NOTUM (0.43) NOTUMALDH1A1MEN1KMT2ACHRM2
SCHEMBL6720008 0.78 LMNA (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4810394 0.75 KDM4E (0.46) NOTUMALDH1A1MAPTNPC1RAB9A
SCHEMBL3916573 0.75 MTNR1A (0.46) NOTUMALDH1A1AOC3CHRM2CHRM3
SCHEMBL25039106 0.74 KMT2A (0.45) NOTUMALDH1A1MEN1KMT2AAOC3
SCHEMBL14564370 0.73 CHRM2 (0.55) NOTUMALDH1A1MEN1KMT2AAOC3

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 12 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
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP 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 NOTUM 1258/4885ALDH1A1 2580/4885MEN1 2767/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 NOTUM 1129/4885ALDH1A1 1913/4885MEN1 2414/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 NOTUM 782/4885ALDH1A1 1335/4885MEN1 2794/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 NOTUM 1258/4885ALDH1A1 2580/4885MEN1 2767/4885

“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.