SCHEMBL2598596

SCHEMBL2598596

O=C1C(Oc2ccc3[nH]ncc3c2)CCN1C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.46
ROCK1 Q13464 4/20 0.46
ROCK2 O75116 3/20 0.46
CCR2 P41597 2/20 0.46
IKBKB O14920 1/20 0.40
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 9/20 0.39
SLC6A3 Q01959 9/20 0.39
CYP2D6 P10635 8/20 0.39
TIPARP Q7Z3E1 1/20 0.38
PRKCZ Q05513 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CDC7 O00311 1/20 0.37
PRKACA P17612 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKG1 Q13976 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL2598593 1.00 CHRM4 (0.46) CHRM4ROCK1ROCK2CCR2IKBKB
SCHEMBL2598533 0.83 PIK3CD (0.49) CHRM4ROCK1ROCK2CCR2
SCHEMBL2598532 0.83 PIK3CD (0.49) CHRM4ROCK1ROCK2CCR2
SCHEMBL2597013 0.81 CHRM4 (0.42) CHRM4ROCK1ROCK2CCR2TIPARP
SCHEMBL2598421 0.81 CHRM4 (0.42) CHRM4ROCK1ROCK2CCR2TIPARP
SCHEMBL5412921 0.77 IKBKB (0.59) CHRM4ROCK1ROCK2CCR2IKBKB
SCHEMBL5407372 0.73 IKBKB (0.54) CHRM4ROCK1ROCK2CCR2IKBKB
SCHEMBL15105521 0.72 GPR119 (0.45)
SCHEMBL789142 0.72 GPR119 (0.45)
SCHEMBL5423957 0.72 PRKCZ (0.63) ROCK1ROCK2CCR2IKBKBPRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 US disclosed
EP-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 CHRM4 734/4885ROCK1 3622/4885ROCK2 3201/4885

“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.