SCHEMBL6330306

SCHEMBL6330306

O=C1CCCCCN1c1ccc(Br)cc1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
HPGD P15428 6/20 0.55
AKR1C3 P42330 5/20 0.55
ALDH1A1 P00352 4/20 0.55
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
BRD9 Q9H8M2 1/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL10112811 0.98 IDO1 (0.57) IDO1HPGDAKR1C3ALDH1A1RXFP1
SCHEMBL29930390 0.92 ALDH1A1 (0.62) IDO1HPGDAKR1C3ALDH1A1NPC1
SCHEMBL1171241 0.92 ALDH1A1 (0.62) IDO1HPGDAKR1C3ALDH1A1NPC1
SCHEMBL4733957 0.84 IDO1 (0.50) IDO1HPGDAKR1C3ALDH1A1RXFP1
SCHEMBL29277841 0.83 ALDH1A1 (0.57) HPGDAKR1C3ALDH1A1NPC1RAB9A
SCHEMBL85591 0.83 ALDH1A1 (0.57) HPGDAKR1C3ALDH1A1NPC1RAB9A
SCHEMBL11933644 0.83 IDO1 (0.54) IDO1HPGDAKR1C3ALDH1A1NPC1
SCHEMBL11142367 0.82 ALDH1A1 (0.74) HPGDAKR1C3ALDH1A1NPC1RAB9A
SCHEMBL2728631 0.81 LMNA (0.58) HPGDAKR1C3ALDH1A1NPC1RAB9A
SCHEMBL4461794 0.81 AKR1C3 (0.55) HPGDAKR1C3ALDH1A1NPC1RAB9A

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-6858616-B2 Nitrogen containing heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
EP-1140941-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-10-20 EP disclosed
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors FEVIG JOHN M (US) 2003-04-10 US disclosed
US-6413980-B1 INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-02 US disclosed
EP-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 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-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors F12, F11, F10 IDO1 2086/4885HPGD 929/4885AKR1C3 3596/4885

“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.