SCHEMBL13266992

SCHEMBL13266992

CCNC(=O)OCCc1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
ACHE P22303 7/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.33
CREBBP Q92793 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
SCHEMBL13244943 0.81 HRH3 (0.32) ALDH1A1
SCHEMBL23028585 0.80 NAAA (0.38) MEN1KMT2AALDH1A1
SCHEMBL10839563 0.79 ALDH1A1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL23028581 0.77 DGKA (0.40) MEN1KMT2AALDH1A1
SCHEMBL18839751 0.76 LMNA (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16674069 0.74 ACHE (0.60) CHRNB2CHRNA4CHRNB4CHRNA3ACHE
SCHEMBL12676638 0.72 GAA (0.41) KMT2AALDH1A1
SCHEMBL23028664 0.72
SCHEMBL8166415 0.72 FAAH (0.49)
SCHEMBL23028584 0.71 TDP1 (0.34) ALDH1A1

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-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CHRNB2 4696/4885CHRNA4 4771/4885CHRNB4 4664/4885

“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.