SCHEMBL4010697

SCHEMBL4010697

c1cc2c(nc1N1CCCCC1)CCNCC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.69
HTR2A P28223 4/20 0.69
MLNR O43193 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2B P41595 4/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 3/20 0.41
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4006035 1.00 HTR2C (0.69) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4015795 0.98 HTR2C (0.71) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4010604 0.91 HTR2C (0.75) HTR2CHTR2AHTR2BCASP1CASP4
SCHEMBL4015920 0.90 HTR2C (0.79) HTR2CHTR2AHTR2BCASP1CASP4
SCHEMBL17984886 0.89 HTR2C (0.59) HTR2CHTR2AMLNRCYP2D6HTR2B
Hydrochloric Acid SCHEMBL2905080 0.88 HTR2C (0.57) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4012055 0.87 HTR2C (0.61) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4196244 0.87 HTR2A (0.61) HTR2CHTR2AHRH4ALDH1A1HTR3E
Hydrochloric Acid SCHEMBL2907812 0.86 HTR2C (0.59) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4009586 0.86 HTR2C (0.63) HTR2CHTR2AMLNRCYP2D6HTR2B

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 11 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 claimed
EP-2094695-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS Cascade Therapeutics Inc. (CA) 2009-09-02 EP claimed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO claimed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 WO claimed
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
EP-2094695-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS Cascade Therapeutics Inc. (CA) 2009-09-02 EP disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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 HTR2C 1/4885HTR2A 2/4885MLNR 261/4885

“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.