SCHEMBL2597013

SCHEMBL2597013

O=C1C(Oc2ccc3[nH]ncc3c2)CCN1C1CCN(c2cnc(Cl)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.42
ROCK2 O75116 2/20 0.41
CCR2 P41597 2/20 0.41
ROCK1 Q13464 2/20 0.41
TIPARP Q7Z3E1 7/20 0.39
TRPV1 Q8NER1 1/20 0.38
KCNH2 Q12809 2/20 0.38
ERN1 O75460 5/20 0.37
CHRNA7 P36544 2/20 0.35

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
SCHEMBL2598421 1.00 CHRM4 (0.42) CHRM4ROCK2CCR2ROCK1TIPARP
SCHEMBL2598593 0.81 CHRM4 (0.46) CHRM4ROCK2CCR2ROCK1TIPARP
SCHEMBL2598596 0.81 CHRM4 (0.46) CHRM4ROCK2CCR2ROCK1TIPARP
SCHEMBL15022677 0.77 GPR119 (0.40) TIPARP
SCHEMBL15022673 0.77 GPR119 (0.40) TIPARP
SCHEMBL2598532 0.76 PIK3CD (0.49) CHRM4ROCK2CCR2ROCK1
SCHEMBL2598533 0.76 PIK3CD (0.49) CHRM4ROCK2CCR2ROCK1
SCHEMBL15023109 0.75 KCNJ1 (0.36) TIPARPKCNH2
SCHEMBL2598425 0.70 GPR119 (0.42) TIPARPKCNH2
SCHEMBL15023098 0.70 GPR119 (0.42) TIPARPKCNH2

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 734/4885ROCK2 3201/4885CCR2 109/4885

“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.