SCHEMBL4422947

SCHEMBL4422947

Cc1ccc(N2CCNCC2)c2c1Oc1ccc(C(F)(F)F)cc1N=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.42
NCF1 P14598 1/20 0.42
ADRB1 P08588 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTR6 P50406 4/20 0.39
HTR3A P46098 5/20 0.38
HTR2C P28335 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
HTR1D P28221 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
IDH2 P48735 1/20 0.38
HTR1A P08908 3/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
SOS1 Q07889 1/20 0.37
ADRA2A P08913 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
SCHEMBL5936580 0.87 HTR1A (0.39) ADRB1HTR6HTR3AHTR2CHTR3E
SCHEMBL4420497 0.87 HTR3A (0.45) ADRB2ADRB1HTR6HTR3AHTR2C
SCHEMBL4051366 0.85 NCF1 (0.39) NCF1ADRB1HTR6HTR3AHTR3E
SCHEMBL13179908 0.75 HTR3A (0.58) ADRB2NCF1ADRB1HTR6HTR3A
SCHEMBL19385666 0.73 ADRB2 (0.55) ADRB2NCF1ADRB1HTR6HTR3A
SCHEMBL3407418 0.72 ADRA2A (0.49) ADRB2ADRB1HRH4HTR6HTR3A
Hydrochloric Acid SCHEMBL19385658 0.72 MAPT (0.55) ADRB2NCF1ADRB1HTR6HTR3A
SCHEMBL4428815 0.72 ADRB1 (0.41) ADRB2NCF1ADRB1HRH4HTR6
SCHEMBL5936585 0.71 HTR1A (0.46) ADRB2ADRB1HTR6HTR3AHTR2C
SCHEMBL6030680 0.70 HTR3A (0.46) ADRB2NCF1ADRB1HRH4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622461-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. (US) 2009-11-24 US disclosed
US-7550454-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents ACADIA PHARMACEUTICALS INC. 2006-11-09 US disclosed
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. 2005-09-01 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-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents DRD3, DRD2, PNMT ADRB2 237/4885NCF1 2051/4885ADRB1 339/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 ADRB2 99/4885NCF1 2225/4885ADRB1 101/4885

“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.