SCHEMBL4243265

SCHEMBL4243265

CC(COCc1ccccc1)Nc1c(Cl)ccc2c1CCNC[C@@H]2C(CC(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.33
ACE P12821 1/20 0.33
CTSS P25774 2/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
FOLH1 Q04609 1/20 0.31
MBTPS1 Q14703 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL4246196 0.85 HTT (0.33) ACELMNAALDH1A1MAPTMBTPS1
Succinic Acid SCHEMBL506478 0.77 HTR2B (0.38) TACR1FOLH1
Succinic Acid SCHEMBL506479 0.77 HTR2B (0.38) TACR1FOLH1
SCHEMBL10476223 0.76 PDE5A (0.35) TACR1
SCHEMBL5108162 0.71 HTR2B (0.35)
SCHEMBL4247816 0.70 HTR2C (0.33)
SCHEMBL4251215 0.68 SSTR1 (0.30)
SCHEMBL5108175 0.67 SLC16A3 (0.33) TACR1
SCHEMBL4927022 0.67 ALDH1A1 (0.39) LMNAALDH1A1GAAMAPT
SCHEMBL5108376 0.67 MEN1 (0.34) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 TACR1 127/4885ACE 4373/4885CTSS 3485/4885

“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.