SCHEMBL4597886

SCHEMBL4597886

O=C1CCN(Cc2ccc(C(=O)NC3CCCCC3)nc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 12/20 0.56
PRKAB2 O43741 5/20 0.56
PRKAG1 P54619 5/20 0.56
PRKAA1 Q13131 5/20 0.56
PRKAG3 Q9UGI9 5/20 0.56
PRKAG2 Q9UGJ0 5/20 0.56
PRKAB1 Q9Y478 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ACKR3 P25106 2/20 0.49

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
SCHEMBL4609821 0.82 KMT2A (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL506648 0.78 ALDH1A1 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL27747238 0.78 P4HTM (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL18172850 0.76 PARP1 (0.49) PRKAA2SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL26066509 0.73 PARP1 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL519372 0.72 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5568167 0.72 PRKAA2 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL25153984 0.71 PARP1 (0.76)
SCHEMBL9908373 0.71 SMYD3 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL19496629 0.71 CNR1 (0.62) SMN1; SMN2NPC1RAB9AKMT2AKDM4E

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 PRKAA2 2195/4885PRKAB2 2160/4885PRKAG1 1820/4885

“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.