SCHEMBL6803500

SCHEMBL6803500

CCOC(=O)[C@H](Cc1nnc(-c2ccccc2)o1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
ATM Q13315 1/20 0.51
HPGD P15428 2/20 0.50
CTSL P07711 3/20 0.49
CTSB P07858 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL31524195 0.84 ATM (0.55) TACR1ATMCTSLCTSBCTSS
SCHEMBL6508639 0.82 ATM (0.47) TACR1ATMCTSLCTSBCTSS
SCHEMBL6256512 0.82 ATM (0.47) TACR1ATMHPGDCTSLCTSB
SCHEMBL6440666 0.81 CTSL (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6440663 0.81 CTSL (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6258688 0.80 NPPA (0.46) TACR1ATMCTSLCTSBCTSS
SCHEMBL24103408 0.78 CTSK (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL30306923 0.77 ATM (0.43) TACR1ATMCTSLCTSBCTSS
SCHEMBL6807187 0.77 PPARA (0.48) TACR1ATMCTSLCTSBCTSS
SCHEMBL6806843 0.77 MGLL (0.43) TACR1ATMCTSLCTSBCTSS

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-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders DACK KEVIN NEIL (GB) 2004-07-15 US disclosed
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 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-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders MME, ECE1, ECE2 TACR1 489/4885SMN1; SMN2 2381/4885ATM 4873/4885

“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.