SCHEMBL23745557

SCHEMBL23745557

COc1cccc(C(CC(=O)NC2CCC(N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CNR2 P34972 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 2/20 0.41
CNR1 P21554 3/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL23745560 1.00 MAPT (0.43) MAPTRXFP1CNR2SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL23721971 0.99 MAPT (0.43) MAPTRXFP1CNR2SMN1; SMN2CYP3A4
SCHEMBL23745647 0.94 CNR1 (0.41) MAPTRXFP1CNR2SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL23722205 0.93 CNR1 (0.41) MAPTRXFP1CNR2SMN1; SMN2CYP3A4
SCHEMBL23745563 0.91 CNR1 (0.39) MAPTRXFP1CNR2SMN1; SMN2CNR1
SCHEMBL23745532 0.90 CNR1 (0.42) MAPTSMN1; SMN2CYP3A4CYP2C19CNR1
SCHEMBL23745575 0.90 CNR1 (0.42) MAPTSMN1; SMN2CYP3A4CYP2C19CNR1
SCHEMBL23721885 0.90 CNR1 (0.42) MAPTSMN1; SMN2CYP3A4CYP2C19CNR1
SCHEMBL23745594 0.90 CNR1 (0.42) MAPTSMN1; SMN2CYP3A4CYP2C19CNR1
SCHEMBL23745577 0.90 CNR1 (0.42) MAPTSMN1; SMN2CYP3A4CYP2C19CNR1

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 MAPT 4743/4885RXFP1 3856/4885CNR2 2528/4885

“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.