SCHEMBL1124524

SCHEMBL1124524

COC(=O)C(N)Cc1ccn(C)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGDS O60760 1/20 0.37
JMJD6 Q6NYC1 4/20 0.37
TSHR P16473 1/20 0.37
PDE10A Q9Y233 1/20 0.36
GLS O94925 1/20 0.36
GRM2 Q14416 1/20 0.36
PTGS2 P35354 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPK1 P28482 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL30703376 0.90 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AHPGDSJMJD6
SCHEMBL25323444 0.87 PRMT5 (0.38) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL29062150 0.83 CYP1A2 (0.47) KDM4EPTGS2
SCHEMBL25660475 0.83 CYP1A2 (0.47) KDM4EPTGS2
SCHEMBL25319725 0.82 ALDH1A1 (0.36) ALDH1A1TSHRPTGS2
SCHEMBL8435697 0.79 GAA (0.48) ALDH1A1KDM4EHTTTSHR
SCHEMBL5869679 0.79 GAA (0.48) ALDH1A1KDM4EHTTTSHR
SCHEMBL8435270 0.77 HDAC1 (0.49)
SCHEMBL8249973 0.77 DPP4 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9APTGS2
SCHEMBL21197755 0.75 PPARG (0.39) ALDH1A1KDM4ELMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348109-B Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2025-01-21 CN 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
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 US disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 WO 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-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 ALDH1A1 3228/4885KDM4E 1537/4885LMNA 1932/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 ALDH1A1 1218/4885KDM4E 1788/4885LMNA 1614/4885

“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.