SCHEMBL5868037

SCHEMBL5868037

O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccnc2ccccc12)NCC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
F10 P00742 8/20 0.36
P2RX7 Q99572 1/20 0.35
CHRM1 P11229 2/20 0.35
PLAT P00750 1/20 0.34
KLKB1 P03952 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
SCHEMBL5868287 0.88 CCR3 (0.39) ARF10P2RX7PLATKLKB1
SCHEMBL5868109 0.87 KMT2A (0.41) F10CHRM1PLATKLKB1
SCHEMBL5867988 0.81 SLC6A4 (0.40) F10CHRM1PLATKLKB1
SCHEMBL5868104 0.81 AR (0.41) AR
SCHEMBL6989921 0.80 KMT2A (0.40) CHRM1
SCHEMBL6419853 0.76 F10 (0.37) F10PLATKLKB1
SCHEMBL6177113 0.76 KMT2A (0.38) F10PLATKLKB1
SCHEMBL5868118 0.76 F10 (0.39) F10PLATKLKB1
SCHEMBL5868094 0.74 F10 (0.42) F10
SCHEMBL6983309 0.73 ACP1 (0.42) F10CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 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 (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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN AR 3759/4885F10 68/4885P2RX7 3602/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 AR 3646/4885F10 60/4885P2RX7 3815/4885

“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.