SCHEMBL428342

SCHEMBL428342

CN(C)C(=O)c1ccc2c(N3CCNCC3)cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.48
ADRB2 P07550 3/20 0.48
ADRB1 P08588 2/20 0.48
HTR6 P50406 5/20 0.46
HTR5A P47898 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
MTOR P42345 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46

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
SCHEMBL429205 0.83 NCF1 (0.48) NCF1ADRB2ADRB1HTR6HTR5A
SCHEMBL431870 0.80 BACE1 (0.48) ALDH1A1LMNA
SCHEMBL428165 0.76 NCF1 (0.69) NCF1ADRB2ADRB1HTR6HTR5A
SCHEMBL27656377 0.73 NCF1 (0.55) NCF1ADRB2ADRB1HTR6HTR5A
SCHEMBL5369315 0.73 NCF1 (0.53) NCF1ADRB2ADRB1HTR6HTR5A
SCHEMBL4176462 0.72 NCF1 (0.72) NCF1ADRB2ADRB1HTR6HTR5A
SCHEMBL4507584 0.72 ADRB1 (0.51) NCF1ADRB1HTR6HTR5ATSHR
SCHEMBL4171704 0.71 HTR6 (0.56) NCF1ADRB2ADRB1HTR6HTR5A
SCHEMBL2710792 0.71 NCF1 (0.65) NCF1ADRB2ADRB1HTR6KDM4E
SCHEMBL430944 0.70 NCF1 (0.51) NCF1ADRB2ADRB1HTR6HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE NCF1 4523/4885ADRB2 252/4885ADRB1 146/4885

“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.