SCHEMBL4800638

SCHEMBL4800638

N#Cc1ccc(-c2cc([CH]Cc3ccccc3C(N)=O)[nH]c(=O)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.41
CYP11B1 P15538 9/20 0.35
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
KCNJ1 P48048 2/20 0.33
JAK2 O60674 1/20 0.33
AR P10275 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
CDC7 O00311 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL4803811 0.81 IKBKB (0.39) CDC7
SCHEMBL3174393 0.81 CYP11B2 (0.45) CYP11B2CYP11B1CTSKCTSCAR
SCHEMBL4809955 0.78 CYP11B2 (0.45) CYP11B2CYP11B1ARGPR52CDC7
SCHEMBL4206303 0.77 CYP11B2 (0.39) CYP11B2CYP11B1ARGPR52CDC7
SCHEMBL4800934 0.75 JAK2 (0.44) JAK2
SCHEMBL4804544 0.75 F11 (0.34)
SCHEMBL4145857 0.74 AR (0.42) CYP11B2CYP11B1ARGPR52EGLN1
SCHEMBL27710717 0.69 CYP11B2 (0.54) CYP11B2CYP11B1ARGPR52
SCHEMBL2332730 0.66 CYP11B2 (0.43) CYP11B2CYP11B1CTSKCTSCKCNJ1
SCHEMBL4802582 0.63 MAPK1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
EP-1773775-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
US-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; BRISTOL-MYERS SQUIBB COMPANY 2006-01-12 US disclosed
WO-2005123680-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 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 (1 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-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; F12, F11, F2 CYP11B2 3823/4885CYP11B1 3856/4885CTSK 227/4885

“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.