SCHEMBL4115161

SCHEMBL4115161

CC(C)CC(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.46
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
CXCR5 P32302 1/20 0.40
HPGDS O60760 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HPGD P15428 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL4114890 0.81 CNR1 (0.50) CNR1CNR2CXCR5HPGDSHCRTR1
SCHEMBL5847102 0.79 PTPN1 (0.53) GRM2HPGD
SCHEMBL14065381 0.79 CNR1 (0.44) CNR1CNR2CXCR5HPGDSHCRTR1
SCHEMBL13513601 0.77 CNR1 (0.43) CNR1CNR2CXCR5HPGDSHCRTR1
SCHEMBL4116945 0.77 HPGDS (0.58) CNR1CNR2CXCR5HPGDSHCRTR1
SCHEMBL9000004 0.76 PTPN1 (0.61) CNR1CNR2HPGD
SCHEMBL4109693 0.76 PTPN1 (0.61) CNR1CNR2HPGD
SCHEMBL4103684 0.75 CNR1 (0.42) CNR1CNR2CXCR5HCRTR1HCRTR2
SCHEMBL29392762 0.74 CNR1 (0.47) CNR1CNR2CXCR5HCRTR1HCRTR2
SCHEMBL401068 0.74 CNR1 (0.47) CNR1CNR2CXCR5HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP 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-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A GRM2 418/4885CNR1 202/4885CNR2 269/4885

“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.