SCHEMBL13228209

SCHEMBL13228209

CCC1CN(CC)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.42
CACNA1H O95180 3/20 0.42
CACNA1I Q9P0X4 3/20 0.42
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 0.38
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL13500492 0.83 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL15731953 0.82 OPRM1 (0.35) CACNA1GCACNA1HCACNA1ISLC6A2SLC6A4
SCHEMBL3756970 0.80 CACNA1G (0.48) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL13227810 0.79 NOTUM (0.50) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL8244093 0.79 CCKBR (0.44) MTNR1AMTNR1BSLC6A2SLC6A4HTR1A
SCHEMBL8235627 0.78 CYP2C9 (0.41) SLC6A2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL13068179 0.78 SLC6A2 (0.38) SLC6A2SLC6A4HTR1AADRA2AADRB3
SCHEMBL18373678 0.78 SLC6A2 (0.38) SLC6A2SLC6A4HTR1AADRA2AADRB3
SCHEMBL24780637 0.76 CACNA1G (0.35) CACNA1G
SCHEMBL13209360 0.75 SLC6A2 (0.37) SLC6A2SLC6A4HTR1AADRA2AADRB3

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 4 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-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-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 CACNA1G 427/4885CACNA1H 379/4885CACNA1I 429/4885

“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.