SCHEMBL22906115

SCHEMBL22906115

CC(=O)C(=O)NC1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.42
P2RX4 Q99571 1/20 0.42
EPHX2 P34913 4/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SSTR4 P31391 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL13621156 0.83 KDM4E (0.50) KDM4EMAPTALDH1A1P2RX4NPC1
SCHEMBL508551 0.83 ATM (0.45) KDM4EALDH1A1P2RX4EPHX2EPHX1
SCHEMBL3753914 0.82
SCHEMBL15808570 0.82 KDM4E (0.44) KDM4EMAPTALDH1A1P2RX4EPHX2
SCHEMBL6175075 0.82 KDM4E (0.47) KDM4EMAPTALDH1A1P2RX4EPHX2
SCHEMBL2016562 0.78 KDM4E (0.49) KDM4EALDH1A1P2RX4EPHX2EPHX1
SCHEMBL14877484 0.78 SMN1; SMN2 (0.68) KDM4EMAPTALDH1A1EPHX2EPHX1
SCHEMBL24150016 0.77 KDM4E (0.41) KDM4EMAPTALDH1A1P2RX4NPC1
SCHEMBL19457387 0.77 KDM4E (0.43) KDM4EALDH1A1P2RX4EPHX2EPHX1
SCHEMBL23199831 0.77 KDM4E (0.43) KDM4EALDH1A1P2RX4SSTR4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 US disclosed
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 US disclosed
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-01-21 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 (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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 KDM4E 4112/4885MAPT 4/4885ALDH1A1 3234/4885
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 KDM4E 4112/4885MAPT 4/4885ALDH1A1 3234/4885

“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.