SCHEMBL6901339

SCHEMBL6901339

c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)c[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.60
DRD2 P14416 6/20 0.60
HTR1A P08908 1/20 0.60
HTR3A P46098 1/20 0.60
DRD3 P35462 5/20 0.60
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSD17B10 Q99714 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
SCHEMBL27535077 0.91 DRD4 (0.50) DRD4DRD2HTR1AHTR3ADRD3
SCHEMBL27418958 0.88 DRD4 (0.51) DRD4DRD2HTR1AHTR3ADRD3
SCHEMBL27396659 0.88 CYP2D6 (0.65) DRD4DRD2HTR1AHTR3ADRD3
SCHEMBL27465127 0.88 DRD4 (0.62) DRD4DRD2HTR1ADRD3ALDH1A1
SCHEMBL27480224 0.87 ALDH1A1 (0.49) DRD4DRD2HTR1AHTR3ADRD3
SCHEMBL27396699 0.86 ALDH1A1 (0.53) DRD4DRD2HTR1AHTR3ADRD3
SCHEMBL8677037 0.85 DRD4 (0.58) DRD4DRD2HTR1ADRD3KDM4E
Hydrochloric Acid SCHEMBL7423933 0.84 DRD4 (0.56) DRD4DRD2HTR1ADRD3KDM4E
SCHEMBL27408446 0.82 POLB (0.53) DRD4DRD2HTR1AHTR3ADRD3
SCHEMBL27395188 0.81 DRD4 (0.46) DRD4DRD2HTR1AHTR3ADRD3

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-20040048869-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2004-03-11 US disclosed
US-20020094986-A1 Combination treatment for depression, anxiety and psychosis PFIZER INC 2002-07-18 US disclosed
EP-1213031-A2 Combination treatment for depression, anxiety and psychosis comprising an antidepressant and/or anxiolytic and a D4 receptor antagonist Pfizer Products Inc. (US) 2002-06-12 EP 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-20020094986-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 DRD4 4/4885DRD2 6/4885HTR1A 12/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 DRD4 4/4885DRD2 6/4885HTR1A 12/4885

“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.