SCHEMBL23745645

SCHEMBL23745645

COc1cc(OC)cc(C(CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
FAAH O00519 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CYP2D6 P10635 1/20 0.44
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
PLA2G2A P14555 2/20 0.42
CHRM1 P11229 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL23745498 0.94 MTNR1A (0.45) ACHEFAAHMTNR1AMTNR1BCYP2D6
Hydrochloric Acid SCHEMBL23721926 0.93 MTNR1A (0.45) ACHEFAAHMTNR1AMTNR1BCYP2D6
SCHEMBL23516678 0.88 ALDH1A1 (0.44) ACHEFAAHALDH1A1MEN1KMT2A
SCHEMBL23721942 0.86 CACNA1G (0.46) ALDH1A1MEN1KMT2AUSP2POLB
Hydrochloric Acid SCHEMBL23722141 0.85 CACNA1G (0.45) ALDH1A1MEN1KMT2AUSP2POLB
SCHEMBL23745704 0.82 ALDH1A1 (0.45) ACHEFAAHCYP2D6TACR1ALDH1A1
SCHEMBL23745653 0.82 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AUSP2POLB
Hydrochloric Acid SCHEMBL23721925 0.82 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AUSP2POLB
Hydrochloric Acid SCHEMBL23721986 0.82 ALDH1A1 (0.44) ACHEFAAHCYP2D6TACR1ALDH1A1
SCHEMBL20988970 0.82 PPARG (0.49) ACHEFAAHMTNR1AMTNR1BALDH1A1

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 ACHE 813/4885FAAH 384/4885MTNR1A 4020/4885

“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.