SCHEMBL4902903

SCHEMBL4902903

CN1CCN(C(=O)C(N)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.60
AKT2 P31751 1/20 0.56
AKT1S1 Q96B36 1/20 0.56
AKT3 Q9Y243 1/20 0.56
DPP4 P27487 1/20 0.54
DPP7 Q9UHL4 1/20 0.54

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
SCHEMBL5059867 0.86 AKT1 (0.60) AKT1AKT2AKT1S1AKT3DPP4
SCHEMBL7214004 0.85 HSD17B10 (0.71) AKT1AKT2AKT3DPP4
SCHEMBL11226904 0.85 HSD17B10 (0.71) AKT1AKT2AKT3DPP4
SCHEMBL27154397 0.85 HSD17B10 (0.71) AKT1AKT2AKT3DPP4
Hydrochloric Acid SCHEMBL6898277 0.84 HDAC8 (0.69) AKT1AKT2AKT3DPP4
Hydrochloric Acid SCHEMBL27547045 0.84 HDAC8 (0.69) AKT1AKT2AKT3DPP4
SCHEMBL14279733 0.82 MC4R (0.55) AKT1AKT2AKT1S1AKT3DPP7
Hydrochloric Acid SCHEMBL3791647 0.82 UGCG (0.50) AKT1DPP7
Hydrochloric Acid SCHEMBL3791640 0.82 UGCG (0.50) AKT1DPP7
SCHEMBL3424349 0.81 OPRD1 (0.46) AKT1DPP4DPP7

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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 AKT1 3114/4885AKT2 2960/4885AKT1S1 3383/4885

“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.