SCHEMBL19852883

SCHEMBL19852883

NC(=O)CCCC(=O)N1CCC2(CCNC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.42
ITGA2B P08514 15/20 0.42
ATM Q13315 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.39
NPC1 O15118 1/20 0.35
CALCRL Q16602 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
SCHEMBL19852880 0.85 OTUD7B (0.43) ITGB3ITGA2BOTUD7BCALCRL
SCHEMBL19852881 0.82 OTUD7B (0.43) OTUD7BCALCRL
SCHEMBL29890275 0.80 OTUD7B (0.46) OTUD7BCALCRL
SCHEMBL29360897 0.79 OTUD7B (0.43) OTUD7BCALCRL
SCHEMBL24338486 0.79 OTUD7B (0.36) OTUD7BCALCRL
SCHEMBL24620331 0.78 OTUD7B (0.35) OTUD7BCALCRL
SCHEMBL24620526 0.77 OTUD7B (0.35) OTUD7BCALCRL
SCHEMBL23934060 0.76 ITGB3 (0.34) ITGB3ITGA2BATM
SCHEMBL745671 0.75 OTUD7B (0.40) OTUD7BCALCRL
SCHEMBL4072997 0.75 OTUD7B (0.47) OTUD7BCALCRL

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-11299495-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2022-04-12 US disclosed
WO-2018026779-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 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-11299495-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A ITGB3 3250/4885ITGA2B 2064/4885ATM 2349/4885

“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.