SCHEMBL16440917

SCHEMBL16440917

CB(O)N1CCN[C@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ GRIN2D O15399 5/20 0.41
▸ GRIN3B O60391 5/20 0.41
▸ GRIN1 Q05586 5/20 0.41
▸ GRIN2A Q12879 5/20 0.41
▸ GRIN2B Q13224 5/20 0.41
▸ GRIN2C Q14957 5/20 0.41
▸ GRIN3A Q8TCU5 5/20 0.41
▸ THRB P10828 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ARG1 P05089 1/20 0.35

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
SCHEMBL10073196 0.75 BIRC2 (0.36) —
SCHEMBL753889 0.75 BIRC2 (0.36) —
SCHEMBL19817503 0.73 MAPT (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12995468 0.73 MAPT (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2913058 0.73 MAPT (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11474794 0.72 MAPT (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL27032882 0.72 MAPT (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27799879 0.70 MAPT (0.47) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12292882 0.70 MAPT (0.47) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24785151 0.69 MAPT (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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-9133147-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-15 — — US disclosed
US-20150038498-A1 THROMBIN INHIBITORS MERCK SHARP & DOHME LLC 2015-02-05 — — 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-20150038498-A1 THROMBIN INHIBITORS F3, F2, CFH MAPT 4868/4885GRIN2D 4069/4885GRIN3B 2019/4885

“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.

Send feedback