SCHEMBL12412693

SCHEMBL12412693

CC(C)(C)c1cnc(N2CCN(CCC(=O)O)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
HRH3 Q9Y5N1 2/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HTR7 P34969 1/20 0.43
GLA P06280 1/20 0.41
DRD4 P21917 3/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL12412686 0.86 KDM4E (0.45) HRH3PPARGPPARDPPARA
SCHEMBL12412543 0.83 HRH3 (0.43) HTR1AHRH3PPARGPPARDPPARA
SCHEMBL12412689 0.82 CYP2C9 (0.49) HRH3PPARGPPARDPPARADRD2
SCHEMBL12503462 0.82 HTR1A (0.49) HTR1AHTR7GLADRD4DRD2
SCHEMBL18937702 0.81 HTR1A (0.48) HTR1AHRH3HTR7DRD3HDAC6
SCHEMBL2113038 0.79 HTR1A (0.71) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL12041659 0.77 HTR1A (0.51) HTR1AHRH3HTR7DRD4DRD2
SCHEMBL19959013 0.76 HRH3 (0.54) HTR1AHRH3DRD2DRD3
SCHEMBL381875 0.76 HTR1A (0.50) HTR1AHRH3HTR7DRD4DRD2
SCHEMBL11989608 0.75 HRH4 (0.47) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI HTR1A 2692/4885HRH3 3618/4885PPARG 143/4885

“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.