SCHEMBL6153377

SCHEMBL6153377

CN(C)Cc1cc(-c2nnnn2C)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.51
SLC6A2 P23975 11/20 0.51
SLC6A3 Q01959 9/20 0.51
HTR2A P28223 6/20 0.51
KCNH2 Q12809 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6151177 0.77 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6152457 0.75 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6151910 0.70 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6151938 0.70 HTR2A (0.55) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL9121785 0.69 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL18648038 0.68 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL5193554 0.65 TDP1 (0.65) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL6612924 0.65 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL7527306 0.64 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL8103794 0.63 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US claimed
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea PFIZER INC. 2002-12-05 US claimed
EP-1262197-A2 Combination treatment for sleep disorders including sleep apnea Pfizer Products Inc. (US) 2002-12-04 EP claimed
US-20020165217-A1 Combination treatment for anxiety and depression PFIZER INC. 2002-11-07 US claimed
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis PFIZER INC. 2002-09-05 US claimed
US-6436938-B1 ADMINISTERING A SIGMA RECEPTOR LIGAND IN COMBINATION WITH AN ANTIDEPRESSANT AGENT; ESPECIALLY FOR REFRACTORY DEPRESSION PFIZER INC. 2002-08-20 US claimed
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier PFIZER PRODUCTS INC. 2002-08-08 US claimed
US-20020099045-A1 Combination treatment for depression PFIZER PRODUCTS INC. 2002-07-25 US claimed
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP disclosed
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence PFIZER INC 2004-08-19 US disclosed
EP-1238676-B1 Combination of a serotonin reuptake inhibitor and an atypical antipsychotic for use in depression, obsessive compulsive disorder and psychosis PFIZER PROD INC (US) 2004-05-19 EP disclosed
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 US disclosed
US-20030130322-A1 Biaryl ether derivative as opiod antagonist PFIZER INC. 2003-07-10 US disclosed
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier PFIZER PRODUCTS INC. 2002-08-08 US disclosed
US-20020099045-A1 Combination treatment for depression PFIZER PRODUCTS INC. 2002-07-25 US disclosed
EP-1224930-A1 Combination of a SR inhibitor and sigma receptor ligand in the treatment ofdepression Pfizer Products Inc. (US) 2002-07-24 EP disclosed
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 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 (8 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-20030130322-A1 Biaryl ether derivative as opiod antagonist OPRM1, OPRD1, OPRK1 SLC6A4 40/4885SLC6A2 11/4885SLC6A3 31/4885
US-20020165217-A1 Combination treatment for anxiety and depression GABRA1, GABRA2, GABRA5 SLC6A4 40/4885SLC6A2 37/4885SLC6A3 67/4885
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea HTR1A, HTR2A, ADRA2A SLC6A4 30/4885SLC6A2 22/4885SLC6A3 80/4885
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier HTR3A, HTR3E, HTR4 SLC6A4 19/4885SLC6A2 49/4885SLC6A3 34/4885
US-20040029972-A1 Combination treatment for depression HTR3A, HTR5A, HTR6 SLC6A4 14/4885SLC6A2 29/4885SLC6A3 22/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 SLC6A4 13/4885SLC6A2 2/4885SLC6A3 10/4885
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis SLC6A3, OXTR, OPRD1 SLC6A4 5/4885SLC6A2 12/4885SLC6A3 1/4885
US-20020099045-A1 Combination treatment for depression HTR5A, HTR1A, OPRL1 SLC6A4 11/4885SLC6A2 18/4885SLC6A3 53/4885

“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.