SCHEMBL22017478

SCHEMBL22017478

COc1ccc(C(=O)N[C@@H](C)CO)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
PLK1 P53350 1/20 0.56
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL31432720 1.00 TAS1R3 (0.60) TAS1R3TAS1R1CA1CA2PLK1
SCHEMBL23628704 0.87 TAS1R3 (0.61) TAS1R3TAS1R1CA1CA2PLK1
SCHEMBL18896210 0.87 TAS1R3 (0.65) TAS1R3TAS1R1CA1CA2PLK1
SCHEMBL29096093 0.85 CA1 (0.62) TAS1R3TAS1R1CA1CA2PLK1
SCHEMBL8330051 0.84 CA1 (0.66) TAS1R3TAS1R1CA1CA2PLK1
SCHEMBL7660841 0.84 TAS1R3 (0.57) TAS1R3TAS1R1CA1CA2PLK1
SCHEMBL30098956 0.81 TAS1R3 (0.64) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL13753581 0.81 TAS1R3 (0.64) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL12302080 0.81 MEN1 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12302079 0.81 MEN1 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-02-15 US disclosed
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-05-21 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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine IKZF2, WEE1, NOTUM TAS1R3 4883/4885TAS1R1 4870/4885CA1 4254/4885
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM TAS1R3 4883/4885TAS1R1 4870/4885CA1 4254/4885

“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.