SCHEMBL19409643

SCHEMBL19409643

CC(C)(C)OC(=O)N1CCC(C2(C)Cc3cc(F)ccc3O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGDS O60760 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MMP13 P45452 1/20 0.39
DPP4 P27487 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
SCHEMBL19409510 0.89 HRH3 (0.44) HRH3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL12183728 0.88 HRH3 (0.44) HRH3GPR119MAPT
SCHEMBL12183699 0.85 GPR119 (0.48) HRH3GPR119
SCHEMBL9936587 0.80 GPR119 (0.40) HRH3MEN1KMT2AGPR119MAPT
SCHEMBL9936334 0.80 GPR119 (0.40) HRH3MEN1KMT2AGPR119MAPT
SCHEMBL9936330 0.80 GPR119 (0.40) HRH3MEN1KMT2AGPR119MAPT
SCHEMBL31235937 0.76 GPR119 (0.63) HRH3GPR119HDAC1HDAC2
SCHEMBL15035133 0.75 GPR119 (0.46) GPR119
SCHEMBL18706930 0.75 NR1H2 (0.49) HRH3GPR119HPGDSHDAC1HDAC2
SCHEMBL14244872 0.74 GPR119 (0.58) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436444-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-05-13 EP disclosed
US-10323026-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-18 US disclosed
US-20170283406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-05 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 (2 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-20170283406-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE HRH3 1146/4885MEN1 183/4885KMT2A 1317/4885
US-10323026-B2 Heterocyclic compound MAG, HTT, ACHE HRH3 1146/4885MEN1 183/4885KMT2A 1317/4885

“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.