SCHEMBL6325124

SCHEMBL6325124

NC1CN(Cc2ccccc2)CCN(c2ccc(Br)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.44
RORC P51449 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6322816 0.78 GRM2 (0.48) BACE1CYP3A4
SCHEMBL3614775 0.77 SIGMAR1 (0.50) NPC1ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL13875780 0.77 SIGMAR1 (0.50) NPC1ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL6324160 0.76 ALDH1A1 (0.52) NPC1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL28831010 0.74 RXFP1 (0.41) MAPTCYP3A4MAPK1CYP2C19LMNA
SCHEMBL28831007 0.74 RXFP1 (0.41) MAPTCYP3A4MAPK1CYP2C19LMNA
SCHEMBL18048600 0.72 ROCK2 (0.47) ALDH1A1MAPTCYP3A4MAPK1CYP2C19
SCHEMBL16915090 0.72 HDAC1 (0.67) NPC1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL31198934 0.71 SIGMAR1 (0.75) NPC1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL27793229 0.71 TACR1 (0.62) NPC1BCHEACHEBACE1ALDH1A1

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 NPC1 1444/4885BCHE 1819/4885ACHE 2777/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 NPC1 1444/4885BCHE 1819/4885ACHE 2777/4885

“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.