SCHEMBL13776993

SCHEMBL13776993

CN1CCC(C2CNc3ccc(NC(=O)OCc4ccccc4)cc32)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1F P30939 1/20 0.52
SLC10A2 Q12908 2/20 0.46
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RCOR1 Q9UKL0 1/20 0.43
MGLL Q99685 1/20 0.43
VCP P55072 1/20 0.42
TGM2 P21980 3/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL13776992 0.80 HTR1A (0.47) HTR1AHTR1DHTR1FSLC10A2
SCHEMBL10127629 0.73 MGLL (0.51) KDM1AMAOAMAOBNPC1ALDH1A1
SCHEMBL2935082 0.73 HTR1D (0.61) HTR1AHTR1DHTR1FMAPTATM
SCHEMBL10127716 0.71 HRH3 (0.46) SLC10A2NPC1ALDH1A1TP53MAPT
SCHEMBL27481407 0.71 HTR1D (0.68) HTR1AHTR1DHTR1FMAPT
SCHEMBL10127700 0.71 MGLL (0.56) MGLLVCPHRH3
SCHEMBL10449090 0.71 CTSL (0.56) ALDH1A1TSHRTGM2
SCHEMBL10321346 0.71 CTSL (0.56) ALDH1A1TSHRTGM2
SCHEMBL12323278 0.71 CTSL (0.56) ALDH1A1TSHRTGM2
SCHEMBL18306620 0.71 CTSL (0.56) ALDH1A1TSHRTGM2

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-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 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-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN TPH1, NOS1, IDO1 HTR1A 8/4885HTR1D 6/4885HTR1F 24/4885

“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.