SCHEMBL6002162

SCHEMBL6002162

CN1CCN(c2ccc(Cl)c3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
RAD52 P43351 1/20 0.51
NCF1 P14598 1/20 0.49
ADRA2C P18825 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR3A P46098 3/20 0.44
HRH4 Q9H3N8 3/20 0.44
BCL2A1 Q16548 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR3B O95264 2/20 0.42

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
SCHEMBL6002186 0.89 DRD2 (0.69) DRD2DRD3POLBKDM4EMAPT
SCHEMBL6001700 0.80 ADRA2C (0.50) DRD2DRD3NCF1ADRA2CCYP1A2
SCHEMBL424507 0.79 DRD2 (0.75) DRD2DRD3POLBKDM4EMAPT
SCHEMBL30824988 0.79 DRD2 (0.54) DRD2DRD3NCF1ADRA2CDRD4
SCHEMBL29509033 0.79 ADRA2C (0.62) DRD2DRD3POLBKDM4EMAPT
SCHEMBL3623865 0.79 ADRA2C (0.62) DRD2DRD3POLBKDM4EMAPT
SCHEMBL29508950 0.77 NCF1 (0.58) DRD2DRD3POLBKDM4EMAPT
SCHEMBL3603871 0.75 AR (0.73) ADRA2C
SCHEMBL6002177 0.74 HTR1A (0.62) DRD2DRD3KDM4ENCF1ADRA2C
SCHEMBL3616397 0.73 ADRA2C (0.56) DRD2DRD3POLBKDM4EMAPT

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
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 DRD2 1222/4885DRD3 580/4885POLB 4433/4885

“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.