SCHEMBL20994243

SCHEMBL20994243

CC(=O)NC(CC1CCC(C)(C)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
BLM P54132 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
CPB2 Q96IY4 8/20 0.35
LMNA P02545 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL20994241 1.00 SMN1; SMN2 (0.44) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL15144998 0.86 SMN1; SMN2 (0.53) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL19083953 0.86 SMN1; SMN2 (0.53) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL20994308 0.86 ALDH1A1 (0.46) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL20994304 0.86 ALDH1A1 (0.46) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL20994281 0.83 GRN (0.52) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL20994283 0.83 GRN (0.52) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL7843875 0.81 GRN (0.55) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL29511128 0.81 GRN (0.55) SMN1; SMN2BLMKDM4EMAPTTHRB
SCHEMBL6467188 0.81 GRN (0.55) SMN1; SMN2BLMKDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563074-B Piperazine derivatives 安斯泰来制药株式会社 2021-09-28 CN disclosed
EP-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
US-10710988-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2020-07-14 US disclosed
US-20190202815-A1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2019-07-04 US disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 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 (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-10710988-B2 Piperazine derivative GPR4, MC4R, TRPC4 SMN1; SMN2 2030/4885BLM 4006/4885KDM4E 1465/4885
US-20190202815-A1 PIPERAZINE DERIVATIVE GPR4, MC4R, TRPC4 SMN1; SMN2 2030/4885BLM 4006/4885KDM4E 1465/4885

“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.