SCHEMBL16465286

SCHEMBL16465286

C[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP2C19 P33261 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 2/20 0.53
GAA P10253 2/20 0.52
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
DPP4 P27487 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.48
P2RY12 Q9H244 1/20 0.47

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
SCHEMBL16466450 1.00 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL20612426 1.00 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL522558 0.89 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL522557 0.89 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL8251750 0.89 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16408319 0.87 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4970964 0.87 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
Alanine SCHEMBL8913599 0.86 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL29267284 0.86 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16408312 0.85 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017251-A1 MACROCYCLE FOR INHIBITING AND INDUCING EGFR DEGRADATION AND PREPARATION METHOD FOR AND USE OF MACROCYCLE 江苏恒瑞医药股份有限公司 2024-01-25 WO disclosed
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 EP disclosed
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 EP disclosed
CN-104837821-B Acylpiperazines as inhibitors of transglutaminase and their use in medicine 阿斯顿大学 2018-11-13 CN disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
EP-2906543-A1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE Aston University (GB) 2015-08-19 EP disclosed
CN-104837821-A Acylpiperazines as inhibitors of transglutaminase and their use in medicine UNIV ASTON 2015-08-12 CN disclosed
WO-2014057266-A1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE ASTON UNIVERSITY (GB) 2014-04-17 WO disclosed
WO-2014057266-A1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE ASTON UNIVERSITY (GB) 2014-04-17 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 (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-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ENPEP, ENPP2, MMP17 MEN1 1690/4885KMT2A 1957/4885NPSR1 3162/4885

“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.