SCHEMBL4200235

SCHEMBL4200235

CC(=O)N1CCCN(c2ccc3c(n2)CCNCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
GBA1 P04062 1/20 0.43
MAP4K4 O95819 1/20 0.42
PDE10A Q9Y233 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
BPTF Q12830 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL13568113 0.95 HTR2A (0.55) HTR2AHTR2CGBA1MAP4K4PDE10A
Hydrochloric Acid SCHEMBL4209517 0.94 HTR2C (0.53) HTR2AHTR2CGBA1MAP4K4PDE10A
SCHEMBL4196244 0.82 HTR2A (0.61) HTR2AHTR2CALDH1A1HSD17B10
SCHEMBL4015795 0.82 HTR2C (0.71) HTR2AHTR2CALDH1A1HSD17B10MLNR
SCHEMBL4006035 0.80 HTR2C (0.69) HTR2AHTR2CALDH1A1HSD17B10MAPT
SCHEMBL4010697 0.80 HTR2C (0.69) HTR2AHTR2CALDH1A1HSD17B10MAPT
SCHEMBL4008551 0.80 HTR2A (0.49) HTR2AHTR2CALDH1A1GAAHSD17B10
SCHEMBL4015051 0.79 HTR2C (0.63) HTR2AHTR2CALDH1A1
Hydrochloric Acid SCHEMBL4215110 0.79 HTR2A (0.48) HTR2AHTR2CALDH1A1GAAMEN1
SCHEMBL4201322 0.78 CKS1B (0.51) MAP4K4PDE10AALDH1A1CKS1BSKP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A HTR2A 2/4885HTR2C 1/4885GBA1 3807/4885

“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.