SCHEMBL7312898

SCHEMBL7312898

O=C(O)C1CCN(C(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 4/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
HIF1A Q16665 1/20 0.63
LMNA P02545 1/20 0.58
AVPR1A P37288 1/20 0.55
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
CPB1 P15086 1/20 0.52
CCR5 P51681 1/20 0.52

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
SCHEMBL4453090 0.84 ALDH1A1 (0.77) ALDH1A1KMT2AKDM4EMEN1HIF1A
SCHEMBL27295602 0.84 CCR5 (0.66) ALDH1A1KMT2AKDM4EMEN1HIF1A
SCHEMBL13598976 0.84 ALDH1A1 (0.61) RAB9AALDH1A1KMT2AKDM4EMEN1
SCHEMBL7305700 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1HIF1A
Hydrochloric Acid SCHEMBL4618213 0.82 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EMEN1HIF1A
SCHEMBL3582934 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EMEN1HIF1A
SCHEMBL26265996 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1HIF1A
SCHEMBL6430908 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EMEN1HIF1A
SCHEMBL7242072 0.81 CYP2C9 (0.68) ALDH1A1LMNAAVPR1AHTTCCR5
SCHEMBL20827426 0.80 KDM4E (0.73) RAB9AALDH1A1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 US disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 US disclosed
EP-3456711-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-03-20 EP disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 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-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 RAB9A 2065/4885ALDH1A1 2870/4885KMT2A 4574/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 RAB9A 2065/4885ALDH1A1 2870/4885KMT2A 4574/4885

“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.