SCHEMBL12099482

SCHEMBL12099482

O=C(O)N(Cc1ccccc1)[C@H]1COCC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.46
SLC18A3 Q16572 2/20 0.44
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
OPRM1 P35372 4/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
CHRM1 P11229 1/20 0.37
THRB P10828 1/20 0.37
KCNA5 P22460 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL18289567 0.89 CHRM2 (0.49) CTSDSLC18A3LMNAMEN1KMT2A
SCHEMBL18279333 0.89 CHRM2 (0.49) CTSDSLC18A3LMNAMEN1KMT2A
SCHEMBL12099079 0.89 CTSD (0.46) CTSDSLC18A3LMNAMEN1KMT2A
SCHEMBL12099118 0.89 CTSD (0.46) CTSDSLC18A3LMNAMEN1KMT2A
SCHEMBL2495894 0.79 SLC18A3 (0.60) CTSDSLC18A3MEN1KMT2AALDH1A1
SCHEMBL15818276 0.75 CTSD (0.47) CTSDSLC18A3LMNAMEN1KMT2A
SCHEMBL15818279 0.75 CTSD (0.47) CTSDSLC18A3LMNAMEN1KMT2A
SCHEMBL15818274 0.75 CTSD (0.47) CTSDSLC18A3LMNAMEN1KMT2A
SCHEMBL2534991 0.74 CTSD (0.68) CTSDSLC18A3MEN1KMT2AALDH1A1
SCHEMBL3880578 0.74 CTSD (0.68) CTSDSLC18A3MEN1KMT2AALDH1A1

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-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 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-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 CTSD 2087/4885SLC18A3 594/4885LMNA 3733/4885

“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.