SCHEMBL1818798

SCHEMBL1818798

O=C(NCC1(CC2CC2)CCNCC1)c1c(F)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.49
CHRM3 P20309 3/20 0.49
P2RX7 Q99572 7/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
GAA P10253 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
HPGD P15428 1/20 0.43
SLC6A9 P48067 2/20 0.42

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
SCHEMBL4368797 0.83 SLC6A9 (0.64) P2RX7SLC6A9
SCHEMBL27684011 0.82 SLC6A9 (0.53) CHRM1P2RX7SLC6A9
SCHEMBL679425 0.82 SLC6A9 (0.65) SLC6A9
SCHEMBL8241368 0.80 SLC6A9 (0.52) P2RX7SLC6A9
SCHEMBL678925 0.79 SLC6A9 (0.67) SLC6A9
SCHEMBL8243684 0.79 SLC6A9 (0.54) P2RX7SLC6A9
SCHEMBL2903008 0.76 SLC6A9 (0.70) SLC6A9
SCHEMBL13208533 0.75 SLC6A9 (0.67) SLC6A9
SCHEMBL4371728 0.74 SLC6A9 (0.70) P2RX7SLC6A9
SCHEMBL12627234 0.74 SLC6A9 (0.46) P2RX7SLC6A9

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 9 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-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
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
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
EP-1942893-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007053400-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-05-10 WO disclosed
WO-2007053400-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-05-10 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-20090270451-A1 Piperdine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 CHRM1 1893/4885CHRM3 2284/4885P2RX7 786/4885

“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.