SCHEMBL4010625

SCHEMBL4010625

O=C(O)N1CCc2ccc(N3CC[S+]([O-])CC3)nc2CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
GRM5 P41594 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4337461 0.84 HTR2A (0.48) HTR2AHTR2CKDM4EALDH1A1
SCHEMBL4212899 0.83 KDM4E (0.46) HTR2AHTR2CKDM4EALDH1A1
SCHEMBL4212724 0.83 MAP4K4 (0.44) GRM5ALDH1A1
SCHEMBL4204478 0.82 HTR2C (0.63) HTR2AHTR2CKDM4EALDH1A1
SCHEMBL4208588 0.81 MAP4K4 (0.45) HTR2AHTR2CGAAL3MBTL1ALDH1A1
SCHEMBL4005649 0.76 HTR2C (0.58) HTR2AHTR2CKDM4EALDH1A1
SCHEMBL4215873 0.75 MAP4K4 (0.51) ALDH1A1
SCHEMBL28935833 0.75 GRM5 (0.37) GRM5
Hydrochloric Acid SCHEMBL4206024 0.75 HTR2C (0.57) HTR2AHTR2CKDM4EALDH1A1
SCHEMBL4009889 0.74 HTR2A (0.39) HTR2AHTR2C

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
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-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 1/4885GRM5 25/4885

“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.