SCHEMBL6324160

SCHEMBL6324160

O=C1CCN(Cc2ccccc2)CCN1c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 3/20 0.51
HPGD P15428 2/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
IGF1R P08069 1/20 0.49
APOBEC3A P31941 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
SCHEMBL2823995 0.79 MEN1 (0.48) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL31198934 0.78 SIGMAR1 (0.75) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL14597188 0.78 MEN1 (0.50) NPC1MEN1KMT2ARAB9ASIGMAR1
SCHEMBL26668393 0.77 DRD4 (0.77) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL4733957 0.77 IDO1 (0.50) ALDH1A1MAPTNPC1HPGDMEN1
SCHEMBL6325124 0.76 NPC1 (0.47) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL1576273 0.76 SIGMAR1 (0.55) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL23529088 0.76 EGLN1 (0.56) ALDH1A1MAPTCYP3A4CYP2D6MAPK1
SCHEMBL16915090 0.75 HDAC1 (0.67) CYP2D6CYP2C19NPC1MEN1KMT2A
SCHEMBL19962687 0.72 ALDH1A1 (0.45) ALDH1A1NPC1HPGDLMNAHTT

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 ALDH1A1 2263/4885MAPT 4826/4885CYP3A4 1004/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 ALDH1A1 2263/4885MAPT 4826/4885CYP3A4 1004/4885

“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.