SCHEMBL6369616

SCHEMBL6369616

CCN1CCc2c(C(F)(F)F)nn(C)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ GRIA2 P42262 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GRIN2B Q13224 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL13940577 0.88 DPP4 (0.41) DPP4DPP8DPP7DPP9GRIA2
SCHEMBL15730164 0.81 GRIA2 (0.49) DPP4DPP8DPP7DPP9GRIA2
SCHEMBL26373557 0.78 CHRM3 (0.35) GAAALDH1A1MAPT
SCHEMBL14970356 0.74 DPP4 (0.51) DPP4DPP8DPP7DPP9LMNA
SCHEMBL19722755 0.72 DPP4 (0.50) DPP4DPP8DPP7DPP9GRIA2
SCHEMBL15730234 0.72 LMNA (0.37) DPP4DPP8DPP7DPP9GRIA2
SCHEMBL14401055 0.72 LMNA (0.55) GRIA2LMNATDP1TSHRNPSR1
SCHEMBL15730331 0.72 LMNA (0.51) GRIA2LMNATDP1TSHRNPSR1
SCHEMBL14879138 0.71 PDCD1LG2 (0.34) TDP1GRIN2BALDH1A1HTT
SCHEMBL15730382 0.71 GRIA2 (0.41) DPP4DPP8DPP7DPP9GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268280-B1 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-04-24 — — EP disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 — — US disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 — — US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 — — US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 — — 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-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 DPP4 3100/4885DPP8 4677/4885DPP7 3938/4885

“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.

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