SCHEMBL4353943

SCHEMBL4353943

CN(C)C1CCN(c2ccc3c(n2)CCNCC3)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
HTR2A P28223 1/20 0.49
MAP4K4 O95819 2/20 0.47
HRH4 Q9H3N8 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
PDE10A Q9Y233 2/20 0.40
EGLN2 Q96KS0 1/20 0.38
MCHR1 Q99705 1/20 0.36
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
MAPK8 P45983 1/20 0.35
HTR3A P46098 1/20 0.35
HTR6 P50406 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BTK Q06187 1/20 0.35
TMEM97 Q5BJF2 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
SCHEMBL4203438 0.81 HTR2A (0.52) HTR2CHTR2AMAP4K4HRH4HRH3
SCHEMBL4010686 0.79 HTR2C (0.60) HTR2CHTR2AHRH3HTR1AHTR3A
SCHEMBL4207589 0.78 HTR2C (0.56) HTR2CHTR2AHTR1AHTR3AHTR6
SCHEMBL4209544 0.78 HTR2C (0.58) HTR2CHTR2AHRH4HRH3HTR1A
Hydrochloric Acid SCHEMBL4211235 0.78 HTR2C (0.58) HTR2CHTR2AHRH3HTR1AHTR3A
SCHEMBL4015920 0.76 HTR2C (0.79) HTR2CHTR2AHRH3HTR1AHTR3A
SCHEMBL4248885 0.76 HTR2C (0.53) HTR2CHTR2AMAP4K4HTR6
SCHEMBL4015051 0.76 HTR2C (0.63) HTR2CHTR2AHRH4HRH3HTR3A
SCHEMBL4204434 0.75 HTR2A (0.44) HTR2CHTR2AMCHR1
SCHEMBL4015795 0.75 HTR2C (0.71) HTR2CHTR2AHRH4HRH3HTR1A

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 HTR2C 1/4885HTR2A 2/4885MAP4K4 3097/4885

“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.