SCHEMBL20445920

SCHEMBL20445920

NC(=O)OC1CCN(c2cc(N)ncc2Br)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.37
▸ GPR119 Q8TDV5 1/20 0.35
▸ LIPG Q9Y5X9 3/20 0.34
▸ LPL P06858 2/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ LIPC P11150 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ TRPC6 Q9Y210 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.32

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
SCHEMBL20445970 0.76 BTK (0.43) HRH3GPR119ACACB
SCHEMBL28541728 0.76 BTK (0.43) HRH3GPR119ACACB
SCHEMBL20445994 0.76 SMPD3 (0.42) RPS6KB1SMPD3
SCHEMBL28547150 0.76 ACACB (0.42) HRH3GPR119ACACB
SCHEMBL20507833 0.75 HRH3 (0.43) HRH3ACACB
SCHEMBL28536890 0.75 HRH3 (0.43) HRH3ACACB
SCHEMBL28944316 0.73 ACACB (0.43) HRH3LIPGLPLRPS6KB1ACACB
SCHEMBL28944317 0.73 ACACB (0.43) HRH3LIPGLPLRPS6KB1ACACB
SCHEMBL16515552 0.72 MAPT (0.40) HRH3RPS6KB1
SCHEMBL16515549 0.72 MAPT (0.40) HRH3RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 — — CN disclosed
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 — — EP disclosed
US-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE, INC. (JP) 2018-09-27 — — US disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 — — 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-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 SUV39H2, SUV39H1, EZH1 HRH3 199/4885GPR119 1105/4885LIPG 3155/4885

“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.

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