SCHEMBL6323472

SCHEMBL6323472

O=C(OCc1ccccc1)N1CCN(c2ccc(Br)cc2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TMEM97 Q5BJF2 12/20 0.47
SIGMAR1 Q99720 12/20 0.47
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
HRH2 P25021 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HRH1 P35367 2/20 0.47
HTR2B P41595 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
HTR1B P28222 1/20 0.47

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
SCHEMBL5836154 0.91 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1949475 0.88 HPGD (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3767269 0.86 TMEM97 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5592397 0.85 TMEM97 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4003518 0.83 HDAC1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5592390 0.82 TMEM97 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1208730 0.82 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19960792 0.82 SMN1; SMN2 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL975238 0.81 NPSR1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5592283 0.81 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 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-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 MEN1 153/4885KMT2A 2682/4885NPSR1 1651/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 MEN1 153/4885KMT2A 2682/4885NPSR1 1651/4885

“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.