SCHEMBL6986705

SCHEMBL6986705

NC1CCCCN(CC(=O)c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
F2 P00734 1/20 0.42
CHRM3 P20309 1/20 0.42
ACE P12821 6/20 0.41
MME P08473 1/20 0.41
GFER P55789 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL22348913 0.83 F2 (0.41) ALDH1A1KMT2AF2ACEMME
SCHEMBL1527368 0.81 ACE (0.55) TDP1F2ACEMME
SCHEMBL197944 0.81 ACE (0.55) TDP1F2ACEMME
SCHEMBL5639706 0.81 ACE (0.55) TDP1F2ACEMME
Hydrochloric Acid SCHEMBL10792372 0.79 ACE (0.54) TDP1F2ACEMME
SCHEMBL7340784 0.79 ACE (0.54) TDP1F2ACEMME
Hydrochloric Acid SCHEMBL10792376 0.79 ACE (0.54) TDP1F2ACEMME
SCHEMBL7340790 0.79 ACE (0.54) TDP1F2ACEMME
SCHEMBL10893075 0.79 ACE (0.54) TDP1F2ACEMME
SCHEMBL22348911 0.79 CHRNB2 (0.41) ALDH1A1KMT2AMEN1F2ACE

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-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 ALDH1A1 2640/4885KMT2A 3907/4885KDM4E 2721/4885

“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.