SCHEMBL23745498

SCHEMBL23745498

COc1cccc(C(CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
FAAH O00519 1/20 0.45
ACHE P22303 1/20 0.45
CYP2D6 P10635 1/20 0.43
CACNA1G O43497 2/20 0.43
PLA2G2A P14555 2/20 0.43
HTR3A P46098 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 2/20 0.41
TP53 P04637 1/20 0.41
BCHE P06276 1/20 0.40

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
Hydrochloric Acid SCHEMBL23721926 0.99 MTNR1A (0.45) MTNR1AMTNR1BFAAHACHECYP2D6
SCHEMBL23745645 0.94 ACHE (0.47) MTNR1AMTNR1BFAAHACHECYP2D6
SCHEMBL23516678 0.93 ALDH1A1 (0.44) FAAHACHEUSP2ALDH1A1POLB
SCHEMBL23721942 0.89 CACNA1G (0.46) CACNA1GMAPTUSP2ALDH1A1POLB
Hydrochloric Acid SCHEMBL23722141 0.89 CACNA1G (0.45) CACNA1GMAPTUSP2ALDH1A1POLB
SCHEMBL20988970 0.86 PPARG (0.49) MTNR1AMTNR1BFAAHACHEALDH1A1
SCHEMBL23745669 0.83 ACHE (0.45) MTNR1AMTNR1BACHEPLA2G2AMAPT
SCHEMBL23745653 0.83 SMN1; SMN2 (0.45) MAPTUSP2ALDH1A1POLBHSD17B10
SCHEMBL23745709 0.83 ALDH1A1 (0.44) CYP2D6CACNA1GMAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL23721925 0.82 SMN1; SMN2 (0.44) MAPTUSP2ALDH1A1POLBHSD17B10

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 MTNR1A 4020/4885MTNR1B 3677/4885FAAH 384/4885

“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.