SCHEMBL13439739

SCHEMBL13439739

CC(C)c1ccc(OCC2CCN(Cc3ccccn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.53
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
SLC5A7 Q9GZV3 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
OPRM1 P35372 1/20 0.46

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
SCHEMBL14163820 0.87 F10 (0.56) F10ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13439734 0.81 F10 (0.52) F10
SCHEMBL14159031 0.80 HRH3 (0.51)
SCHEMBL13509774 0.77 KDM4E (0.57) ALDH1A1LMNAPKMSLC5A7KDM4E
SCHEMBL14159043 0.76 ACHE (0.56)
SCHEMBL13439727 0.76 CARM1 (0.55)
SCHEMBL18559634 0.76 MEN1 (0.50)
SCHEMBL13512585 0.76 KDM4E (0.61) ALDH1A1LMNAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL10014749 0.75 PARP15 (0.50)
SCHEMBL13439752 0.74 KCNA3 (0.60)

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
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-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-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

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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 F10 1157/4885ALDH1A1 1978/4885LMNA 3437/4885

“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.