SCHEMBL3157303

SCHEMBL3157303

O=C(c1ccccc1)N1CCc2cccc(O)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ NAMPT P43490 1/20 0.49
▸ HSP90AA1 P07900 2/20 0.48
▸ HSP90AB1 P08238 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CXCR3 P49682 1/20 0.47
▸ PTGDR2 Q9Y5Y4 3/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD1 P21728 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
SCHEMBL3163275 0.88 HPGD (0.53) HPGDALDH1A1SMN1; SMN2LMNACA1
SCHEMBL14591322 0.85 PTGDR2 (0.58) HPGDALDH1A1SMN1; SMN2LMNACA1
SCHEMBL16269409 0.84 DRD1 (0.47) HPGDALDH1A1SMN1; SMN2LMNAHSP90AA1
SCHEMBL30277860 0.81 HPGD (0.73) HPGDALDH1A1SMN1; SMN2LMNACA1
SCHEMBL4279383 0.81 HPGD (0.73) HPGDALDH1A1SMN1; SMN2LMNACA1
SCHEMBL17197242 0.80 NOTUM (0.63) LMNAPTGDR2DRD2DRD1DRD5
SCHEMBL14591397 0.78 CXCR3 (0.56) HPGDALDH1A1SMN1; SMN2LMNACA1
SCHEMBL25604192 0.77 ESR1 (0.56) DRD2DRD1DRD5DRD3
SCHEMBL15056470 0.76 TMEM97 (0.69) CXCR3PTGDR2
SCHEMBL10211721 0.75 HPGD (0.56) HPGDALDH1A1SMN1; SMN2LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 — — EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 — — US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 — — US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 — — US disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 HPGD 676/4885ALDH1A1 1978/4885SMN1; SMN2 3807/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 HPGD 676/4885ALDH1A1 1978/4885SMN1; SMN2 3807/4885

“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.

Send feedback