SCHEMBL4337461

SCHEMBL4337461

O=C(O)N1CCc2ccc(N3CCCCC3)nc2CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
PARP1 P09874 2/20 0.41
ALDH1A1 P00352 4/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36
HSP90AA1 P07900 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAOB P27338 2/20 0.35
CYP1A2 P05177 1/20 0.34
MAP4K4 O95819 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4212899 0.87 KDM4E (0.46) HTR2AHTR2CPARP1ALDH1A1HSP90AA1
SCHEMBL4204478 0.86 HTR2C (0.63) HTR2AHTR2CPARP1ALDH1A1MAPK1
SCHEMBL4208588 0.85 MAP4K4 (0.45) HTR2AHTR2CALDH1A1HSP90AA1MAP4K4
SCHEMBL4010625 0.84 HTR2A (0.41) HTR2AHTR2CALDH1A1KDM4E
SCHEMBL4009889 0.83 HTR2A (0.39) HTR2AHTR2C
SCHEMBL4213013 0.81 MAP4K4 (0.47) HTR2AHTR2CMAPTHPGDNPC1
SCHEMBL4203740 0.81 MAP4K4 (0.47) HTR2AHTR2CMAPTHPGDNPC1
SCHEMBL4205087 0.79 MAP4K4 (0.48) HTR2AHTR2CMAPTNPC1RAB9A
SCHEMBL4215873 0.79 MAP4K4 (0.51) ALDH1A1MAPTMAP4K4
SCHEMBL4011215 0.77 GRM5 (0.36) MAPTHSP90AA1NPC1RAB9A

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 5 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
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-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 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 HTR2A 2/4885HTR2C 1/4885PARP1 3268/4885

“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.