SCHEMBL16675854

SCHEMBL16675854

OCc1cccc(C2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
DRD3 P35462 2/20 0.58
KMO O15229 1/20 0.53
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
NAAA Q02083 1/20 0.47
SPHK1 Q9NYA1 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
CYP11B2 P19099 1/20 0.42
HTR1A P08908 1/20 0.40
ENPP2 Q13822 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
CETP P11597 1/20 0.39

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
SCHEMBL7258234 0.98 DRD2 (0.60) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL7257300 0.94 DRD2 (0.60) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL16957589 0.90 DRD2 (0.55) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL11673145 0.86 KMO (0.50) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL16578691 0.82 ESR2 (0.51) DRD2DRD3HDAC4HDAC2HDAC8
SCHEMBL15349884 0.82 DRD2 (0.49) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL7624146 0.82 HTR2C (0.57) DRD2DRD3CHRNB4CHRNA3
Hydrogen Peroxide SCHEMBL11391460 0.82 KMO (0.71) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL669730 0.82 KMO (0.64) DRD2DRD3KMOHDAC4HDAC2
SCHEMBL5667650 0.82 KMO (0.64) DRD2DRD3KMOHDAC4HDAC2

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-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 DRD2 1741/4885DRD3 930/4885KMO 2026/4885

“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.