SCHEMBL18396293

SCHEMBL18396293

COc1ccc(C(=O)NC2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.62
HTR4 Q13639 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SMYD3 Q9H7B4 1/20 0.52
GRM5 P41594 1/20 0.52
MAPK14 Q16539 1/20 0.52
PLK1 P53350 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 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
Hydrochloric Acid SCHEMBL27583094 0.98 HPGDS (0.61) HPGDSHTR4NPC1RAB9AKMT2A
SCHEMBL24322445 0.91 MAPK1 (0.55) HPGDSHTR4NPC1RAB9AKMT2A
SCHEMBL2536771 0.89 NPC1 (0.64) HPGDSNPC1RAB9AKMT2AMEN1
SCHEMBL11303306 0.89 NPC1 (0.59) HPGDSHTR4NPC1RAB9AKMT2A
SCHEMBL11240479 0.84 RAB9A (0.76) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL11813023 0.83 HPGDS (0.62) HPGDSNPC1RAB9AKMT2AMEN1
SCHEMBL29530916 0.83 ALDH1A1 (0.63) HPGDSHTR4NPC1RAB9AKMT2A
SCHEMBL1711687 0.83 ALDH1A1 (0.63) HPGDSHTR4NPC1RAB9AKMT2A
SCHEMBL28324081 0.83 MAPK1 (0.67) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL16789648 0.83 MAPK1 (0.67) NPC1RAB9AKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127912-B1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF UNIV ZHEJIANG (CN) 2021-04-21 EP disclosed
CN-107226808-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 CN disclosed
CN-104945470-B Tripeptide epoxy ketone compound constructed by heterocycle, preparation and application 浙江大学 2020-08-11 CN disclosed
US-9856288-B2 Tripeptide epoxyketone compound constructed by heterocycle and preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2018-01-02 US disclosed
EP-3127912-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2017-02-08 EP disclosed
US-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA , CHINESE ACADEMY OF SCIENCES (CN) 2017-01-26 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 (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-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF VIP, DNPEP, PREP HPGDS 246/4885HTR4 3195/4885NPC1 4140/4885

“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.