SCHEMBL6907165

SCHEMBL6907165

COc1cc(CN2CCN(c3ccccn3)CC2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
KDM4E B2RXH2 5/20 0.69
LMNA P02545 4/20 0.69
HTT P42858 3/20 0.69
TSHR P16473 2/20 0.69
MAPK1 P28482 1/20 0.69
MAPT P10636 2/20 0.66
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
USP2 O75604 1/20 0.57
THRB P10828 1/20 0.57
HPGD P15428 2/20 0.56
ALOX12 P18054 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DRD4 P21917 2/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL6131990 0.84 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHTTTSHR
Hydrochloric Acid SCHEMBL6131775 0.83 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL4750766 0.82 ALDH1A1 (0.92) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL6909103 0.80 LMNA (0.74) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL5667131 0.80 ALDH1A1 (0.74) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL11819047 0.79 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL6908666 0.79 MAPK1 (0.69) ALDH1A1KDM4ELMNAHTTMAPK1
Hydrochloric Acid SCHEMBL11179925 0.79 LMNA (0.73) ALDH1A1KDM4ELMNAMAPTUSP2
SCHEMBL28440477 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAHTTTSHR
Hydrochloric Acid SCHEMBL5667564 0.78 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ZORN STEVIN H (US) 2002-05-02 US claimed
EP-1201268-A2 Combinations of D4 dopamine receptor antagonists with acetylcholine esterase inhibitors Pfizer Products Inc. (US) 2002-05-02 EP claimed
US-5965560-A AS DOPAMINE ANTAGONISTS AND ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1999-10-12 US claimed
WO-1997041108-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-06 WO claimed
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
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ZORN STEVIN H (US) 2002-05-02 US disclosed
EP-1201268-A2 Combinations of D4 dopamine receptor antagonists with acetylcholine esterase inhibitors Pfizer Products Inc. (US) 2002-05-02 EP disclosed
US-6121267-A ADMINISTERING DOPAMINE ANTAGONIST TO TREAT PSYCHOLOGICAL DISORDER, I.E., SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
US-5965560-A AS DOPAMINE ANTAGONISTS AND ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1999-10-12 US disclosed
WO-1997041108-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-11-06 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 (3 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 ALDH1A1 710/4885KDM4E 3111/4885LMNA 1496/4885
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ACHE, BCHE, CHRM4 ALDH1A1 860/4885KDM4E 1815/4885LMNA 4258/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 ALDH1A1 710/4885KDM4E 3111/4885LMNA 1496/4885

“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.