SCHEMBL23746339

SCHEMBL23746339

CCCCC(C)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL24170702 0.91 HRH3 (0.56) HRH3SMN1; SMN2MEN1NPC1TP53
SCHEMBL10077424 0.85 HRH3 (0.59) HRH3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL18538137 0.84 HRH3 (0.57) HRH3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL18538130 0.84 HRH3 (0.57) HRH3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4547887 0.80 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1NOS3NOS1
SCHEMBL25137036 0.79 HRH3 (0.62) HRH3SMN1; SMN2MEN1NPC1TP53
SCHEMBL19441606 0.79 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1NOS3NOS1
SCHEMBL19441582 0.79 HRH3 (0.62) HRH3SMN1; SMN2ALDH1A1NOS3NOS1
SCHEMBL16604254 0.78 HRH3 (0.54) HRH3SMN1; SMN2ALDH1A1NOS3NOS1
SCHEMBL25110359 0.78 ALDH1A1 (0.48) HRH3SMN1; SMN2MEN1NPC1TP53

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 1 patent. 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

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 HRH3 1695/4885SMN1; SMN2 4595/4885MEN1 56/4885

“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.