SCHEMBL4012389

SCHEMBL4012389

CC1CNCCc2ccc(N3CCCOCC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.38
HTR2A P28223 14/20 0.38
MLNR O43193 3/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2B P41595 11/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL4211245 1.00 HTR2C (0.38) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4012411 1.00 HTR2C (0.38) HTR2CHTR2AMLNRCYP2D6HTR2B
Hydrochloric Acid SCHEMBL4199758 0.99 HTR2C (0.37) HTR2CHTR2AMLNRCYP2D6HTR2B
Hydrochloric Acid SCHEMBL4205678 0.99 HTR2C (0.37) HTR2CHTR2AMLNRCYP2D6HTR2B
Hydrochloric Acid SCHEMBL4207743 0.99 HTR2C (0.37) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4009415 0.95 MLNR (0.40) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4015013 0.95 MLNR (0.40) HTR2CHTR2AMLNRCYP2D6HTR2B
SCHEMBL4015349 0.95 MLNR (0.40) HTR2CHTR2AMLNRCYP2D6HTR2B
Hydrochloric Acid SCHEMBL4206680 0.94 MLNR (0.39) HTR2CHTR2AMLNRCYP2D6HTR2B
Hydrochloric Acid SCHEMBL4202159 0.94 MLNR (0.39) 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 8 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
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.