SCHEMBL1572587

SCHEMBL1572587

CC(C)(C)C(=O)N1CCC2(CC1)CC(=O)Nc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.48
CRBN Q96SW2 6/20 0.44
DDB1 Q16531 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CALCRL Q16602 1/20 0.39
PDK2 Q15119 1/20 0.38
CCR5 P51681 1/20 0.38
RIPK1 Q13546 1/20 0.37
AVPR1A P37288 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
DCTPP1 Q9H773 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
SCHEMBL1572645 0.87 PLD1 (0.48) PLD1CRBNDDB1CALCRLCCR5
SCHEMBL3892412 0.84 CRBN (0.51) PLD1CRBNDDB1ALDH1A1HTT
SCHEMBL30733415 0.82 AVPR1A (0.53) HDAC1HDAC6MEN1KMT2AALDH1A1
SCHEMBL13792182 0.81 PLD1 (0.47) PLD1CRBNDDB1ALDH1A1CALCRL
SCHEMBL12622806 0.81 KCNH2 (0.56) CRBNDDB1HDAC1HDAC6CALCRL
SCHEMBL13314948 0.79 PLD1 (0.49) PLD1CRBNDDB1PDK2CCR5
SCHEMBL25275620 0.77 AVPR1A (0.48) CRBNDDB1HDAC1HDAC6MEN1
SCHEMBL13804215 0.76 PLD1 (0.54) PLD1CRBNDDB1CCR5OPRD1
SCHEMBL14156745 0.76 PLD1 (0.52) PLD1CRBNDDB1KMT2ACALCRL
SCHEMBL2102540 0.75 SMN1; SMN2 (0.52) PLD1CRBNDDB1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
EP-1896466-B1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-20060293281-A1 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 PLD1 498/4885CRBN 4199/4885DDB1 2131/4885
US-20060293281-A1 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY13 PLD1 498/4885CRBN 4199/4885DDB1 2131/4885

“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.