SCHEMBL2806475

SCHEMBL2806475

CN1CCN(c2ncc3c(n2)CNC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HTR3A P46098 2/20 0.49
▸ HRH4 Q9H3N8 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP1A2 P05177 6/20 0.48
▸ HSD17B10 Q99714 6/20 0.48
▸ USP2 O75604 5/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ CASP7 P55210 3/20 0.48
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HSP90AB1 P08238 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL2810511 0.87 SMN1; SMN2 (0.56) POLBSMN1; SMN2HTR3AHRH4ALDH1A1
SCHEMBL2807505 0.83 POLB (0.56) POLBSMN1; SMN2ALDH1A1CYP1A2HSD17B10
SCHEMBL24920528 0.74 LMNA (0.61) POLBHTR3AHRH4LMNAMAPT
SCHEMBL22720338 0.73 SMN1; SMN2 (0.76) POLBSMN1; SMN2HTR3AALDH1A1CYP1A2
SCHEMBL30988291 0.72 HTR3A (0.47) POLBSMN1; SMN2HTR3AHRH4ALDH1A1
SCHEMBL29614534 0.71 POLB (0.41) POLBSMN1; SMN2
SCHEMBL24421152 0.71 POLB (0.41) POLBSMN1; SMN2
SCHEMBL1020021 0.71 POLB (0.72) POLBSMN1; SMN2ALDH1A1HSP90AB1TSHR
SCHEMBL17624369 0.70 LMNA (0.47) POLBSMN1; SMN2HTR3AHRH4ALDH1A1
SCHEMBL24920545 0.70 POLB (0.46) POLBSMN1; SMN2HTR3AHRH4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
CN-101663284-A Macrocyclic compounds as hcv ns3 protease inhibitors NOVARTIS AG 2010-03-03 — — CN disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 — — EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 — — 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 POLB 1368/4885SMN1; SMN2 4331/4885HTR3A 2643/4885

“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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