SCHEMBL5087976

SCHEMBL5087976

C[C@@H](Cn1ncc2ccc3c(c21)C[C@@H](O)CO3)NC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CASP1 P29466 2/20 0.38
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38
CASP6 P55212 2/20 0.38
CASP8 Q14790 2/20 0.38
CAPN1 P07384 3/20 0.38
CYP1A2 P05177 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL5087983 1.00 ATM (0.39) ATMCASP1CASP3CASP7CASP6
SCHEMBL14290495 0.86 HTR2A (0.35)
SCHEMBL4950109 0.83 ATM (0.39) ATMCASP1CASP3CASP7CASP6
SCHEMBL4950100 0.83 ATM (0.39) ATMCASP1CASP3CASP7CASP6
SCHEMBL4951270 0.83 ATM (0.39) ATMCASP1CASP3CASP7CASP6
SCHEMBL4951359 0.82 ATM (0.42) ATMCAPN1CYP1A2CTSSCTSK
SCHEMBL4951396 0.77 ATM (0.43) ATMCTSLCTSSCTSK
SCHEMBL5637368 0.77 ATM (0.43) ATMCTSLCTSSCTSK
SCHEMBL3962356 0.76 ATM (0.43) ATMCTSLCTSSCTSK
SCHEMBL4780653 0.76 HTR2C (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033183-A1 PROCESS FOR PREPARING PYRANOINDAZOLE SEROTONERGIC RECEPTOR AGONISTS ALCON MANUFACTURING, LTD. (US) 2008-02-07 US claimed
US-20080033183-A1 PROCESS FOR PREPARING PYRANOINDAZOLE SEROTONERGIC RECEPTOR AGONISTS ALCON MANUFACTURING, LTD. (US) 2008-02-07 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-20080033183-A1 PROCESS FOR PREPARING PYRANOINDAZOLE SEROTONERGIC RECEPTOR AGONISTS HTR3A, HTR3C, HTR7 ATM 3994/4885CASP1 614/4885CASP3 482/4885

“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.