SCHEMBL21170645

SCHEMBL21170645

O=C1CN(C(=O)c2ccc(F)cc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD11B1 P28845 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL14117676 0.84 HRH3 (0.54) HRH3POLBTDP1HSP90AA1L3MBTL1
SCHEMBL4751256 0.84 HSP90AA1 (0.55) HRH3POLBTDP1HSP90AA1CA12
SCHEMBL12093445 0.84 PKM (0.67) HRH3POLBTDP1HSP90AA1LMNA
SCHEMBL10883109 0.84 SIGMAR1 (0.62) HRH3POLBTDP1HSP90AA1L3MBTL1
SCHEMBL24018903 0.82 KMT2A (0.46) HRH3POLBTDP1L3MBTL1MEN1
SCHEMBL23967996 0.82 MEN1 (0.43) HRH3LMNAMEN1RAB9AKMT2A
SCHEMBL623354 0.81 POLB (0.57) HRH3POLBTDP1HSP90AA1HSD11B1
SCHEMBL12090013 0.81 ALDH1A1 (0.57) HRH3POLBTDP1HSP90AA1L3MBTL1
SCHEMBL9971990 0.80 HSP90AA1 (0.54) HRH3POLBTDP1HSP90AA1PARP1
SCHEMBL9971991 0.80 HSP90AA1 (0.51) HRH3POLBTDP1HSP90AA1LMNA

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-10787458-B2 Chiral synthesis of N-acyl-(3-substituted)-(8-substituted)-5,6-dihydro-[1,2,4]triazolo[4,3-A]pyrazines OGEDA SA (BE) 2020-09-29 US disclosed
US-20190218225-A1 NOVEL CHIRAL SYNTHESIS OF N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES OGEDA SA. (BE) 2019-07-18 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-10787458-B2 Chiral synthesis of N-acyl-(3-substituted)-(8-substituted)-5,6-dihydro-[1,2,4]triazolo[4,3-A]pyrazines NAA15, AADAC, NAT1 HRH3 3281/4885POLB 2121/4885TDP1 3774/4885
US-20190218225-A1 NOVEL CHIRAL SYNTHESIS OF N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES NAA15, AADAC, API5 HRH3 3340/4885POLB 2813/4885TDP1 3819/4885

“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.