SCHEMBL6907959

SCHEMBL6907959

COc1cc(CN2CCC(c3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
BCHE P06276 3/20 0.62
BACE1 P56817 3/20 0.62
ACHE P22303 2/20 0.62
SIGMAR1 Q99720 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
TRPV6 Q9H1D0 1/20 0.57
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL11533768 0.79 KDM4E (0.63) MEN1KMT2ABCHEBACE1ACHE
SCHEMBL11009529 0.78 BCHE (0.65) MEN1KMT2ABCHEBACE1ACHE
SCHEMBL6909103 0.78 LMNA (0.74) MEN1KMT2AALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL10334149 0.77 KDM4E (0.75) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1002852 0.77 MEN1 (0.81) MEN1KMT2AACHESIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL11179925 0.77 LMNA (0.73) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL28219784 0.77 POLB (0.67) MEN1KMT2ABCHEBACE1ACHE
SCHEMBL28172286 0.76 SIGMAR1 (0.69) MEN1KMT2ABCHEBACE1ACHE
SCHEMBL8640071 0.76 MEN1 (0.57) MEN1KMT2ABCHEBACE1ACHE
SCHEMBL9832407 0.76 KDM4E (0.81) MEN1KMT2AALDH1A1KDM4ETDP1

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 11 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
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 MEN1 3624/4885KMT2A 2972/4885BCHE 3243/4885
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ACHE, BCHE, CHRM4 MEN1 3739/4885KMT2A 2509/4885BCHE 2/4885
US-20040048869-A1 Combination treatment for depression, anxiety and psychosis HTR4, CHRNA4, GRM4 MEN1 3624/4885KMT2A 2972/4885BCHE 3243/4885

“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.