SCHEMBL6329653

SCHEMBL6329653

O=C1CCCCCN1c1ccc(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.43
HSD17B10 Q99714 1/20 0.41
CCR1 P32246 3/20 0.39
CCR2 P41597 3/20 0.39
F10 P00742 3/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SRD5A1 P18405 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL29349011 0.98 HSD17B10 (0.42) PARP1HSD17B10CCR1CCR2F10
SCHEMBL5880744 0.94 HSD17B10 (0.46) PARP1HSD17B10CCR1CCR2F10
SCHEMBL31642786 0.94 HSD17B10 (0.46) PARP1HSD17B10CCR1CCR2F10
SCHEMBL85665 0.83 ALDH1A1 (0.44) PARP1HSD17B10F10ALDH1A1MEN1
SCHEMBL12848677 0.82 HSD17B10 (0.44) PARP1HSD17B10CCR1CCR2F10
SCHEMBL2651529 0.81 PARP1 (0.50) PARP1HSD17B10ALDH1A1MEN1TSHR
SCHEMBL76589 0.81 ALDH1A1 (0.45) PARP1HSD17B10F10ALDH1A1MEN1
SCHEMBL22816936 0.80 HSD17B10 (0.42) HSD17B10F10ALDH1A1MEN1TSHR
SCHEMBL16190037 0.80 PARP1 (0.42) PARP1HSD17B10F10ALDH1A1KDM4E
SCHEMBL8305775 0.80 HSD17B10 (0.45) PARP1HSD17B10CCR1CCR2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100340559-C Nitrogen containing heterobicycles as factor XA inhibitors DU PONT PHARM CO (US) 2007-10-03 CN disclosed
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 PARP1 1637/4885HSD17B10 2599/4885CCR1 4311/4885

“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.