SCHEMBL4859975

SCHEMBL4859975

O=C(CO)N1CCc2cc[c]cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPT P10636 6/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 5/20 0.43
NOTUM Q6P988 3/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL1451858 0.91 ALDH1A1 (0.43) TSHRMEN1KMT2AALDH1A1NOTUM
SCHEMBL4804622 0.86 TSHR (0.46) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4802212 0.86 TSHR (0.46) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4803384 0.85 LMNA (0.44) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4811482 0.84 TSHR (0.44) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4810543 0.82 LMNA (0.44) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4810771 0.82 TSHR (0.43) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4812759 0.81 ALDH1A1 (0.70) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL5626219 0.81 ALDH1A1 (0.52) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL2224344 0.81 NOTUM (0.60) KMT2AALDH1A1NOTUMLMNASMN1; SMN2

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 14 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
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO 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 2267/4885MAPT 4112/4885MEN1 2767/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 TSHR 3987/4885MAPT 4785/4885MEN1 2414/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 TSHR 3554/4885MAPT 4440/4885MEN1 2794/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 TSHR 2267/4885MAPT 4112/4885MEN1 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.