SCHEMBL391980

SCHEMBL391980

NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccccc3)c[nH]2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F11 P03951 19/20 0.62
KLKB1 P03952 14/20 0.62
PLG P00747 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55

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
SCHEMBL391981 1.00 F11 (0.62) F11KLKB1PLGPRSS1PRSS2
SCHEMBL28766831 1.00 F11 (0.62) F11KLKB1PLGPRSS1PRSS2
SCHEMBL394190 0.97 F11 (0.61) F11KLKB1
SCHEMBL394191 0.97 F11 (0.61) F11KLKB1
SCHEMBL392457 0.91 F11 (0.70) F11KLKB1
SCHEMBL393059 0.91 F11 (0.70) F11KLKB1
SCHEMBL395546 0.91 F11 (0.70) F11KLKB1
SCHEMBL393058 0.91 F11 (0.70) F11KLKB1
SCHEMBL391751 0.90 F11 (0.68) F11KLKB1
SCHEMBL391752 0.90 F11 (0.68) F11KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US claimed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US claimed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US claimed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US claimed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US claimed
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY 2005-12-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885KLKB1 21/4885PLG 48/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885KLKB1 21/4885PLG 48/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885KLKB1 21/4885PLG 48/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885KLKB1 21/4885PLG 48/4885
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide F11, TFPI, F12 F11 1/4885KLKB1 17/4885PLG 31/4885

“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.