SCHEMBL6908666

SCHEMBL6908666

COc1ccccc1N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.69
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 5/20 0.67
DRD4 P21917 3/20 0.67
HTR7 P34969 3/20 0.67
LMNA P02545 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
HTT P42858 1/20 0.65
KMT2A Q03164 1/20 0.64
DRD2 P14416 3/20 0.64
DRD3 P35462 2/20 0.64
HRH2 P25021 1/20 0.64
HRH1 P35367 1/20 0.64
GAA P10253 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
USP2 O75604 1/20 0.62
THRB P10828 1/20 0.62

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
Hydrochloric Acid SCHEMBL11183243 0.99 MAPK1 (0.67) MAPK1ALDH1A1KDM4EDRD4HTR7
SCHEMBL11191164 0.91 ALDH1A1 (0.78) MAPK1ALDH1A1KDM4EDRD4HTR7
Hydrochloric Acid SCHEMBL11188368 0.90 ALDH1A1 (0.77) MAPK1ALDH1A1KDM4EDRD4HTR7
SCHEMBL6904661 0.89 KDM4E (0.65) MAPK1ALDH1A1KDM4EDRD4HTR7
SCHEMBL6904904 0.89 USP2 (0.66) MAPK1ALDH1A1KDM4EHTR7LMNA
SCHEMBL11187366 0.88 LMNA (0.61) MAPK1ALDH1A1KDM4ELMNATDP1
SCHEMBL11191741 0.88 KDM4E (0.80) MAPK1ALDH1A1KDM4EDRD4HTR7
Hydrochloric Acid SCHEMBL11189440 0.88 USP2 (0.65) MAPK1ALDH1A1KDM4EHTR7LMNA
SCHEMBL9720726 0.88 KDM4E (0.79) MAPK1ALDH1A1KDM4EDRD4HTR7
Hydrochloric Acid SCHEMBL11182928 0.87 LMNA (0.60) MAPK1ALDH1A1KDM4ELMNATDP1

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 13 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-4370330-A Method of enhancing circulation with piperazines MERZ & COMPANY (DE) 1983-01-25 US 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 MAPK1 4265/4885ALDH1A1 710/4885KDM4E 3111/4885
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ACHE, BCHE, CHRM4 MAPK1 3917/4885ALDH1A1 860/4885KDM4E 1815/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 MAPK1 4265/4885ALDH1A1 710/4885KDM4E 3111/4885

“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.