SCHEMBL3779989

SCHEMBL3779989

Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.61
HSD11B1 P28845 1/20 0.50
GPR119 Q8TDV5 3/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OGFRL1 Q5TC84 1/20 0.48
HPGDS O60760 1/20 0.48
NAMPT P43490 1/20 0.47
THRB P10828 3/20 0.46
TP53 P04637 1/20 0.46
CCR5 P51681 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
PROKR1 Q8TCW9 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL6518519 0.93 HSD11B1 (0.58) HTR2BHSD11B1GPR119OPRM1OPRD1
SCHEMBL31632781 0.87 OPRM1 (0.57) HTR2BGPR119OPRM1OPRD1OGFRL1
SCHEMBL31632780 0.85 KDM4E (0.47) HTR2BGPR119OPRM1OPRD1OGFRL1
SCHEMBL31632898 0.84 HPGDS (0.47) HTR2BGPR119OPRM1OPRD1OGFRL1
SCHEMBL992547 0.83 HRH1 (0.66) KDM4E
SCHEMBL5007368 0.82 ALDH1A1 (0.53) GPR119OPRM1OPRD1OGFRL1KDM4E
SCHEMBL2776499 0.82 CHRM2 (0.48) GPR119OPRM1OPRD1OGFRL1CCR5
SCHEMBL2774814 0.82 LMNA (0.47) GPR119OPRM1OPRD1OGFRL1THRB
SCHEMBL24983989 0.81 KDM4E (0.50) GPR119OPRM1OPRD1OGFRL1TP53
SCHEMBL30163962 0.81 KDM4E (0.50) GPR119OPRM1OPRD1OGFRL1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252151-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-05-14 EP disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 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-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 HTR2B 63/4885HSD11B1 1521/4885GPR119 79/4885

“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.