SCHEMBL4173801

SCHEMBL4173801

CN1CCN(c2c[c]ccc2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.45
DRD3 P35462 6/20 0.45
DRD4 P21917 4/20 0.45
HTR2A P28223 2/20 0.45
DRD1 P21728 1/20 0.45
ADRA2C P18825 2/20 0.41
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
PTK2B Q14289 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16463118 0.81 ADRA2C (0.43) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL6200811 0.81 CHRNA7 (0.42) DRD2DRD3KDM4EMAPTGAA
SCHEMBL3584990 0.79 ALDH1A1 (0.47) DRD2DRD3ADRA2CKDM4EMAPT
SCHEMBL3589113 0.79 DRD2 (0.50) DRD2DRD3DRD4HTR2AADRA2C
SCHEMBL3595550 0.77 DRD2 (0.55) DRD2DRD3DRD4HTR2AADRA2C
SCHEMBL3584991 0.77 ALDH1A1 (0.41) DRD2DRD3ADRA2CKDM4EMAPT
SCHEMBL188362 0.76 ADRA2C (0.42) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4113163 0.76 DRD2 (0.51) DRD2DRD3DRD4HTR2AADRA2C
SCHEMBL3582056 0.76 ADRA2C (0.39) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL285241 0.76 DRD2 (0.60) DRD2DRD3DRD4HTR2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 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 (2 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-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 DRD2 4217/4885DRD3 4035/4885DRD4 4054/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 DRD2 4217/4885DRD3 4035/4885DRD4 4054/4885

“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.