SCHEMBL4810771

SCHEMBL4810771

CC(C)CC(=O)N1CCc2cc[c]cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NOTUM Q6P988 5/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL4805138 0.84 CYP11B1 (0.44) TSHRNOTUMMAPTALDH1A1POLB
SCHEMBL4804622 0.84 TSHR (0.46) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL4859975 0.82 TSHR (0.47) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL4802212 0.81 TSHR (0.46) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL4810543 0.81 LMNA (0.44) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL4859817 0.80 TSHR (0.43) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL4803446 0.80 ALDH1A1 (0.49) TSHRNOTUMMAPTALDH1A1POLB
SCHEMBL2224344 0.79 NOTUM (0.60) NOTUMKMT2AALDH1A1SMN1; SMN2
SCHEMBL4811482 0.79 TSHR (0.44) TSHRNOTUMMAPTMEN1KMT2A
SCHEMBL4813456 0.78 LMNA (0.42) TSHRNOTUMMAPTMEN1KMT2A

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 TSHR 2267/4885NOTUM 1258/4885MAPT 4112/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 TSHR 3987/4885NOTUM 1129/4885MAPT 4785/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 TSHR 3554/4885NOTUM 782/4885MAPT 4440/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 TSHR 2267/4885NOTUM 1258/4885MAPT 4112/4885

“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.