SCHEMBL23745649

SCHEMBL23745649

Clc1ccc(CNCCc2c[nH]c3ccccc23)c(N2CCCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.56
MC3R P41968 2/20 0.56
MC1R Q01726 2/20 0.56
HRH3 Q9Y5N1 2/20 0.48
BCHE P06276 1/20 0.47
KCNT1 Q5JUK3 1/20 0.47
HTR2A P28223 1/20 0.46
HTR6 P50406 5/20 0.46
G6PD P11413 1/20 0.45
GAA P10253 1/20 0.44
NR1I3 Q14994 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL23745747 0.84 MC5R (0.56) MC5RMC3RMC1RHRH3BCHE
SCHEMBL23745646 0.81 MC5R (0.68) MC5RMC3RMC1RKCNT1HTR2A
Hydrochloric Acid SCHEMBL23722043 0.80 MC5R (0.67) MC5RMC3RMC1RBCHEKCNT1
SCHEMBL23745438 0.77 MC5R (0.55) MC5RMC3RMC1RHRH3BCHE
Hydrochloric Acid SCHEMBL23721953 0.76 MC5R (0.54) MC5RMC3RMC1RHRH3BCHE
SCHEMBL798249 0.74 MC1R (1.00) MC5RMC3RMC1RKCNT1HTR2A
SCHEMBL9299174 0.70 HTR2A (0.70) MC5RMC3RMC1RHRH3BCHE
SCHEMBL17232881 0.70 MC5R (0.83) MC5RMC3RMC1RBCHEKCNT1
SCHEMBL18770219 0.70 MC5R (0.78) MC5RMC3RMC1RKCNT1HTR2A
SCHEMBL31596338 0.70 HRH3 (0.59) MC5RMC3RMC1RHRH3BCHE

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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 MC5R 3934/4885MC3R 4252/4885MC1R 3969/4885

“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.