SCHEMBL8303457

SCHEMBL8303457

Cc1ccc(-n2cc[nH]c2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
DGAT1 O75907 3/20 0.33
CYP2E1 P05181 2/20 0.33
CYP2A6 P11509 2/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK8 P45983 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CMA1 P23946 1/20 0.32
MCHR1 Q99705 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
SCHEMBL8303638 0.81 HPGD (0.33) ALDH1A1HPGDCCNA2CDK2CCNA1
SCHEMBL3858469 0.77 CMA1 (0.43) ELANEALDH1A1HPGDCCNA2CDK2
SCHEMBL2723308 0.76 CYP2A6 (0.46) ELANECHRNB2CHRNA4ALDH1A1CYP2E1
SCHEMBL23565168 0.75 ELANE (0.44) ELANECHRNB2CHRNA4CCNA2CDK2
SCHEMBL1044182 0.72 ELANE (0.45) ELANECHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL4666220 0.72 POLB (0.41) ALDH1A1HPGDCCNA2CDK2CCNA1
SCHEMBL8337902 0.71 CYP2A6 (0.49) ELANECHRNB2CHRNA4ALDH1A1CYP2E1
SCHEMBL15077176 0.70 KCNH2 (0.37) ALDH1A1HPGDCCNA2CDK2CCNA1
SCHEMBL8285971 0.70 ELANE (0.46) ELANECHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL21258406 0.70 ELANE (0.43) ELANECHRNB2CHRNA4CYP2E1CYP2A6

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD ELANE 138/4885CHRNB2 4792/4885CHRNA4 4188/4885

“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.