SCHEMBL13439752

SCHEMBL13439752

CC(C)c1ccc(OCC2CCN(CCCc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.60
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CCR3 P51677 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL13439727 0.93 CARM1 (0.55) CARM1PRMT6HTR2ACCR3
SCHEMBL13462932 0.87 KCNA3 (0.57) KCNA3CARM1PRMT6SIGMAR1DRD2
SCHEMBL11574478 0.83 KCNA3 (0.58) KCNA3CARM1PRMT6SIGMAR1DRD2
SCHEMBL14159043 0.81 ACHE (0.56)
SCHEMBL13463053 0.79 CARM1 (0.59) CARM1PRMT6HTR2ACCR3
SCHEMBL18559634 0.78 MEN1 (0.50) CARM1PRMT6MEN1KMT2A
SCHEMBL14159031 0.77 HRH3 (0.51) SIGMAR1KMT2A
SCHEMBL13450806 0.77 KCNH2 (0.60)
SCHEMBL9372937 0.76 MEN1 (0.50) SIGMAR1MEN1KMT2A
SCHEMBL22813551 0.76 HRH3 (0.64)

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 3 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-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 KCNA3 2503/4885CARM1 4131/4885PRMT6 2623/4885

“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.