SCHEMBL23722907

SCHEMBL23722907

CC(CN(C)C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.76
TACR2 P21452 4/20 0.64
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
MTOR P42345 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL6466847 0.86 TACR3 (1.00) TACR3TACR2
SCHEMBL6449982 0.86 TACR3 (1.00) TACR3TACR2
SCHEMBL23722860 0.86 TACR3 (0.73) TACR3TACR2KDM4EMEN1ALDH1A1
SCHEMBL23722898 0.85 ATM (0.68) TACR3KDM4EMEN1ALDH1A1TSHR
SCHEMBL4477689 0.81 TACR3 (1.00) TACR3TACR2KDM4EMEN1ALDH1A1
SCHEMBL4477684 0.81 TACR3 (1.00) TACR3TACR2KDM4EMEN1ALDH1A1
SCHEMBL4464383 0.81 TACR3 (1.00) TACR3TACR2KDM4EMEN1ALDH1A1
SCHEMBL1913785 0.80 TACR3 (0.57) TACR3TACR2KDM4EMEN1ALDH1A1
SCHEMBL14970873 0.79 MOK (0.80) TACR3KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL6449930 0.79 TACR3 (1.00) TACR3TACR2KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT TACR3 447/4885TACR2 383/4885KDM4E 2146/4885

“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.