SCHEMBL7604485

SCHEMBL7604485

Cc1ccc(CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.77
LMNA P02545 2/20 0.77
POLB P06746 1/20 0.77
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
HTR7 P34969 1/20 0.60
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
CHRNA7 P36544 1/20 0.58
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL12385909 0.93 DRD4 (0.77) DRD4LMNAPOLBMAPTNPSR1
SCHEMBL6029911 0.91 ALDH1A1 (0.67) DRD4LMNAPOLBMAPTNPSR1
SCHEMBL13381620 0.87 LMNA (1.00) DRD4LMNAPOLBALDH1A1KDM4E
SCHEMBL6031812 0.87 DRD4 (1.00) DRD4ALDH1A1HTR7DRD2DRD3
SCHEMBL10568088 0.87 LMNA (0.62) DRD4LMNAPOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL10574116 0.85 LMNA (0.60) DRD4LMNAPOLBMAPTALDH1A1
SCHEMBL6031775 0.85 MAPT (0.71) DRD4LMNAPOLBMAPTALDH1A1
SCHEMBL6031671 0.85 MAPT (0.71) DRD4LMNAPOLBMAPTALDH1A1
SCHEMBL2881069 0.85 DRD4 (0.64) DRD4LMNAPOLBMAPTNPSR1
SCHEMBL4649494 0.84 DRD4 (0.87) DRD4MAPTALDH1A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-1998008091-A1 NORMALIZATION OF COMBINATORIAL REACTIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-26 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 (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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 DRD4 237/4885LMNA 1964/4885POLB 805/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 DRD4 148/4885LMNA 1723/4885POLB 947/4885

“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.