SCHEMBL3436064

SCHEMBL3436064

CCC(=O)Oc1csc(N2CCC[C@H](OC)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
PIN1 Q13526 5/20 0.39
DGAT2 Q96PD7 4/20 0.38
MAP4K4 O95819 1/20 0.35
ACACB O00763 2/20 0.35
IDH1 O75874 1/20 0.34
DNM1L O00429 2/20 0.33
AADAT Q8N5Z0 1/20 0.33

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
SCHEMBL3435738 0.86 HRH3 (0.41) HRH3PIN1
SCHEMBL3435733 0.81 DNM1L (0.38) HRH3ACACBDNM1L
SCHEMBL3435414 0.78 SMN1; SMN2 (0.34) HRH3
SCHEMBL3554282 0.78 HRH3 (0.44) HRH3PIN1MAP4K4ACACB
SCHEMBL13999803 0.78 ALDH1A1 (0.47) HRH3
SCHEMBL13634268 0.77 HRH3 (0.45) HRH3PIN1DGAT2MAP4K4DNM1L
SCHEMBL3435409 0.77 DNM1L (0.39) DNM1L
SCHEMBL10278217 0.76 HRH3 (0.48) HRH3PIN1DGAT2MAP4K4ACACB
SCHEMBL3435448 0.75 ALDH1A1 (0.38)
SCHEMBL3436228 0.73 LMNA (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HRH3 338/4885PIN1 411/4885DGAT2 4280/4885

“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.