SCHEMBL13776992

SCHEMBL13776992

CN1CCC(C2CNc3ccc(NCc4ccccc4)cc32)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1F P30939 1/20 0.47
CCNT1 O60563 5/20 0.44
CDK9 P50750 5/20 0.44
OPRD1 P41143 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
BRD4 O60885 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
UTS2R Q9UKP6 2/20 0.38
SLC10A2 Q12908 1/20 0.38
DRD1 P21728 2/20 0.37
HTR2A P28223 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL13776993 0.80 HTR1A (0.52) HTR1AHTR1DHTR1FSLC10A2
SCHEMBL3087627 0.72 OPRD1 (0.39) CCNT1CDK9OPRD1OPRM1OPRK1
SCHEMBL3087623 0.72 OPRD1 (0.39) CCNT1CDK9OPRD1OPRM1OPRK1
SCHEMBL13776994 0.72 HTR1A (0.50) HTR1AHTR1DHTR1FUTS2R
SCHEMBL14208685 0.69 HTR1A (0.56) HTR1AHTR1DHTR1F
SCHEMBL14417925 0.69 HTR1A (0.49) HTR1AHTR1DHTR1FSIGMAR1
SCHEMBL2264538 0.69 KDM4E (0.60) HTR1AHTR1DHTR1FCCNT1CDK9
SCHEMBL2934570 0.69 KDM4E (0.60) HTR1AHTR1DHTR1FOPRM1OPRK1
SCHEMBL4492625 0.67 CHRNB2 (0.40) OPRD1OPRM1OPRK1BRD4DRD1
SCHEMBL13627337 0.67 CHRNB2 (0.40) OPRD1OPRM1OPRK1BRD4DRD1

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.