SCHEMBL23384263

SCHEMBL23384263

CC(C)N1CCN(c2ccc(C(=O)NC3CCCCC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.57
HRH3 Q9Y5N1 4/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 5/20 0.56
HPGD P15428 4/20 0.56
RAB9A P51151 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL23269595 0.85 HDAC3 (0.62) SMYD3SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL15866466 0.81 NPC1 (0.68) SMYD3SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL21703565 0.81 HRH3 (0.64) SMYD3HRH3SMN1; SMN2KMT2AALDH1A1
SCHEMBL25141603 0.78 SMYD3 (0.59) SMYD3SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL21940956 0.77 HRH3 (0.70) HRH3ALDH1A1NPSR1
SCHEMBL14924418 0.77 HRH3 (0.70) HRH3SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL520877 0.77 NPC1 (0.82) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL28928584 0.77 NPC1 (0.82) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL126657 0.77 NPC1 (0.82) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL24031866 0.76 SMYD3 (0.60) SMYD3SMN1; SMN2NPC1HPGDRAB9A

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-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-20 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-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS TEK, KDR, LIPG SMYD3 3263/4885HRH3 4015/4885SMN1; SMN2 1703/4885

“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.