SCHEMBL1818316

SCHEMBL1818316

NCC1(CC2CC2)CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32

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
SCHEMBL21557884 0.78 ALDH1A1 (0.38) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL1820480 0.77 NR1H2 (0.43) USP2SMN1; SMN2
SCHEMBL29281603 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28765338 0.72 HSD11B1 (0.32)
SCHEMBL23070877 0.71 EPHX1 (0.47) USP2ALDH1A1SMN1; SMN2
SCHEMBL3379442 0.71 SLC6A9 (0.46) LMNAALDH1A1TSHR
SCHEMBL1818822 0.71 HSD11B1 (0.39) NAMPTALDH1A1
SCHEMBL27869525 0.70 USP2 (0.32) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL1972942 0.70 SLC6A2 (0.33) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL4132172 0.69 POLB (0.44) NAMPTLMNAALDH1A1SMN1; SMN2

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-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 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-20090270451-A1 Piperdine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 NAMPT 792/4885LMNA 4136/4885USP2 2988/4885

“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.