SCHEMBL3783072

SCHEMBL3783072

CN1Cc2ccccc2C2(CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.53
▸ PTPN2 P17706 1/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ KCNH2 Q12809 10/20 0.53
▸ SIGMAR1 Q99720 6/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL3783069 1.00 PRKCA (0.53) PRKCAPTPN2HTR7KCNH2SIGMAR1
SCHEMBL3774921 0.88 PRKCA (0.51) PRKCAPTPN2HTR7KCNH2SIGMAR1
SCHEMBL3774923 0.88 PRKCA (0.51) PRKCAPTPN2HTR7KCNH2SIGMAR1
SCHEMBL15673462 0.87 PRKCA (0.40) PRKCAPTPN2HTR7KCNH2SIGMAR1
SCHEMBL30153039 0.77 KCNH2 (0.71) PRKCAPTPN2HTR7KCNH2CYP2D6
SCHEMBL1769593 0.74 KCNH2 (0.70) PRKCAPTPN2HTR7KCNH2CYP3A4
SCHEMBL6888447 0.74 PRKCA (0.77) PRKCAPTPN2HTR7KCNH2OPRM1
SCHEMBL6888816 0.73 PRKCA (0.76) PRKCAPTPN2HTR7KCNH2ALDH1A1
SCHEMBL1150254 0.73 KCNH2 (0.55) PRKCAPTPN2HTR7KCNH2TSHR
SCHEMBL8034405 0.73 PRKCA (0.55) PRKCAPTPN2HTR7KCNH2CYP2D6

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 6 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 claimed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 — — US claimed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — US claimed
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 PRKCA 1788/4885PTPN2 1645/4885HTR7 131/4885

“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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