SCHEMBL13319465

SCHEMBL13319465

CB(O)Nc1cc(CN2CCC(C(C)=O)CC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.46
▸ CCR3 P51677 1/20 0.41
▸ KDR P35968 4/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CDK5 Q00535 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL13003255 0.91 ACKR3 (0.46) ACKR3CCR3KDRDRD2DRD4
SCHEMBL12409942 0.84 KDR (0.42) ACKR3CCR3KDRDRD2DRD4
SCHEMBL12893522 0.81 KDR (0.46) KDRTBK1
SCHEMBL13003253 0.79 GSK3B (0.45) ACKR3TBK1
SCHEMBL14091145 0.77 ACKR3 (0.49) ACKR3
SCHEMBL13003995 0.77 KDR (0.36) ACKR3CCR3KDRCDK5DYRK1A
SCHEMBL14091142 0.76 ACKR3 (0.44) ACKR3TBK1
SCHEMBL12409965 0.76 KDR (0.36) ACKR3CCR3KDRCDK5DYRK1A
SCHEMBL13600348 0.75 GPR183 (0.53) KDRTBK1
SCHEMBL14091079 0.75 TBK1 (0.40) TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — 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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK ACKR3 2905/4885CCR3 1378/4885KDR 4071/4885

“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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