SCHEMBL5639845

SCHEMBL5639845

O=C(NCC1CC(=O)N(c2ccc(-n3ccccc3=O)cc2)C1)c1ccc(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.49
▸ F10 P00742 17/20 0.45
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL5642032 0.89 F10 (0.55) F10
SCHEMBL5638391 0.88 F10 (0.43) F10HDAC1
SCHEMBL5638156 0.88 HDAC3 (0.44) F10HDAC1
SCHEMBL5640924 0.87 F10 (0.61) F10
SCHEMBL5637629 0.87 F10 (0.54) F10
SCHEMBL5642951 0.84 F10 (0.55) ACKR3F10
SCHEMBL4587434 0.83 CTSL (0.46) F10
SCHEMBL5641296 0.83 TP53 (0.50) F10
SCHEMBL4587441 0.81 ACKR3 (0.46) ACKR3F10HDAC1
SCHEMBL5643192 0.79 CNR1 (0.54) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — 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 (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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 ACKR3 3307/4885F10 18/4885HDAC1 108/4885

“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.

Send feedback