SCHEMBL5210299

SCHEMBL5210299

NC(=O)N1CCC(O)CC1.O=C(CNc1ccccc1)OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
CYP2D6 P10635 2/20 0.37
OPRK1 P41145 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDK2 Q15119 1/20 0.35
TACR1 P25103 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
SCD O00767 1/20 0.35
GRM5 P41594 1/20 0.34
RBP4 P02753 1/20 0.34
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5215264 0.81 KDM4E (0.46) KDM4ECYP2D6OPRK1MAPTLMNA
SCHEMBL6214071 0.72 ALDH1A1 (0.51) KDM4ECYP2D6OPRK1MAPTLMNA
SCHEMBL20594029 0.68 ALDH1A1 (0.47) KDM4EMAPTLMNAGAANPC1
SCHEMBL6984072 0.68 KDM4E (0.43) KDM4EEPHX2SMN1; SMN2
SCHEMBL8304517 0.68 CYP2D6 (0.51) KDM4ECYP2D6OPRK1MAPTLMNA
SCHEMBL2238017 0.66 ALDH1A1 (0.46) KDM4EMAPTLMNAGAANPC1
SCHEMBL7465143 0.65 KDM4E (0.51) KDM4EMAPTEPHX2
SCHEMBL4599189 0.65 DPP4 (0.38) GAANPC1RAB9AGRM5
SCHEMBL5337081 0.65 POLB (0.48) KDM4EMAPTLMNAGAANPC1
SCHEMBL28513535 0.64 LTA4H (0.32) KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000077027-A2 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2000-12-21 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 (2 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 KDM4E 2460/4885CYP2D6 786/4885OPRK1 1174/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 KDM4E 2148/4885CYP2D6 477/4885OPRK1 1437/4885

“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.