SCHEMBL4196244

SCHEMBL4196244

CN1CCCN(c2ccc3c(n2)CCNCC3)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
HTR2C P28335 3/20 0.61
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3A P46098 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
HRH4 Q9H3N8 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
THPO P40225 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4015051 0.94 HTR2C (0.63) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4015795 0.88 HTR2C (0.71) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4010697 0.87 HTR2C (0.69) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4006035 0.87 HTR2C (0.69) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL5778164 0.84 HTR2C (0.54) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4010604 0.84 HTR2C (0.75) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4015920 0.84 HTR2C (0.79) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4200235 0.82 HTR2A (0.53) HTR2AHTR2CALDH1A1HSD17B10
SCHEMBL4012055 0.81 HTR2C (0.61) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4206394 0.80 HTR2C (0.60) HTR2AHTR2CHTR3EHTR3BHTR3A

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 4 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
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO 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 1/4885HTR3E 13/4885

“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.