SCHEMBL25318441

SCHEMBL25318441

CC(C)(C)OC(=O)C(N)Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
CYP3A4 P08684 7/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
FDPS P14324 1/20 0.46
TBXAS1 P24557 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
RECQL P46063 1/20 0.42
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
DPP4 P27487 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL30476014 1.00 SLC7A5 (0.46) SLC7A5CYP3A4CYP1A2CYP2C9FDPS
SCHEMBL1980092 0.90 SLC7A5 (0.43) SLC7A5CYP3A4CYP1A2CYP2C9FDPS
SCHEMBL7337394 0.87 ACACB (0.56) KDM4EALDH1A1MAPTHTTLTA4H
SCHEMBL7337381 0.87 ACACB (0.56) KDM4EALDH1A1MAPTHTTLTA4H
SCHEMBL20162475 0.86 LTA4H (0.44) CYP3A4CYP1A2CYP2C9TBXAS1KDM4E
SCHEMBL1676927 0.86 MKNK1 (0.47)
SCHEMBL1676925 0.86 MKNK1 (0.47)
SCHEMBL7378178 0.84 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9FDPSTBXAS1
SCHEMBL19699200 0.84 ALDH1A1 (0.49) CYP3A4CYP1A2CYP2C9FDPSTBXAS1
SCHEMBL29627252 0.84 ALDH1A1 (0.49) CYP3A4CYP1A2CYP2C9FDPSTBXAS1

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
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
EP-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 EP disclosed
CN-116348109-A Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2023-06-27 CN 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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 SLC7A5 2070/4885CYP3A4 153/4885CYP1A2 480/4885

“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.