SCHEMBL478739

SCHEMBL478739

[CH2]C1CCCN(C(=O)C2CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.46
CHRNB2 P17787 7/20 0.44
CHRNA3 P32297 7/20 0.44
CHRNA4 P43681 7/20 0.44
CHRNB3 Q05901 5/20 0.44
CHRNA6 Q15825 5/20 0.44
HSD11B1 P28845 3/20 0.42
CHRNB4 P30926 2/20 0.41
CHRNA7 P36544 2/20 0.41
LMNA P02545 1/20 0.41
HSD11B2 P80365 1/20 0.40
PDE2A O00408 1/20 0.40
GRM5 P41594 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL12076556 0.88 HPGD (0.50) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL12760600 0.88 HPGD (0.50) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL2181877 0.79 HPGD (0.75) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL3123799 0.78 ALDH1A1 (0.36) HPGDALDH1A1HTTLMNA
SCHEMBL478663 0.78 ALDH1A1 (0.39) HPGDALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL478305 0.77 MEN1 (0.46) HPGDALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL20632867 0.76 HPGD (0.57) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL22269818 0.76 HPGD (0.57) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL478741 0.76 ALDH1A1 (0.58) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL14275803 0.76 HPGD (0.57) HPGDALDH1A1TSHRHTTCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US claimed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP claimed
CN-102026996-A Pyridazine derivatives as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2011-04-20 CN claimed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US claimed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP claimed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO claimed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
CN-102026996-A Pyridazine derivatives as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2011-04-20 CN disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 HPGD 1220/4885ALDH1A1 2830/4885TSHR 1896/4885

“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.