SCHEMBL6057734

SCHEMBL6057734

COc1cccc(C(O)C2CCN(CCc3ccccc3)CC2)c1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.84
HTR2C P28335 5/20 0.84
DRD1 P21728 4/20 0.84
HRH1 P35367 4/20 0.84
HTR2A P28223 4/20 0.84
ADRA1B P35368 3/20 0.84
DRD2 P14416 2/20 0.84
ADRA2B P18089 1/20 0.84
OPRK1 P41145 1/20 0.84
KCNQ1 P51787 1/20 0.84
KCNH2 Q12809 1/20 0.84
TMEM97 Q5BJF2 1/20 0.84
PABPC1 P11940 1/20 0.69
HTR1D P28221 4/20 0.69
HTR7 P34969 4/20 0.69
DRD4 P21917 3/20 0.69
HRH2 P25021 3/20 0.69
HTR1B P28222 3/20 0.69
SLC6A4 P31645 3/20 0.69
HTR6 P50406 2/20 0.69

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 SCHEMBL9650017 0.99 HTR2B (0.82) HTR2BHTR2CDRD1HRH1HTR2A
Volinanserin SCHEMBL675164 0.91 HTR2B (1.00) HTR2BHTR2CDRD1HRH1HTR2A
Volinanserin SCHEMBL30543449 0.91 HTR2B (1.00) HTR2BHTR2CDRD1HRH1HTR2A
SCHEMBL13337601 0.91 HTR2B (0.84) HTR2BHTR2CDRD1HRH1HTR2A
Volinanserin SCHEMBL4227186 0.91 HTR2B (1.00) HTR2BHTR2CDRD1HRH1HTR2A
Volinanserin SCHEMBL29356737 0.91 HTR2B (1.00) HTR2BHTR2CDRD1HRH1HTR2A
Volinanserin SCHEMBL340674 0.91 HTR2B (1.00) HTR2BHTR2CDRD1HRH1HTR2A
Volinanserin SCHEMBL13701277 0.91 HTR2B (1.00) HTR2BHTR2CDRD1HRH1HTR2A
SCHEMBL5794461 0.91 HTR2B (0.84) HTR2BHTR2CDRD1HRH1HTR2A
Volinanserin SCHEMBL29899671 0.90 HTR2B (0.98) HTR2BHTR2CDRD1HRH1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644000-A1 COMPOSITIONS CONTAINING A SEROTONIN SELECTIVE REUPTAKE INHIBITOR AND A 5-HT2A RECEPTOR ANTAGONIST Pfizer Products Inc. (US) 2006-04-12 EP claimed
US-20050070577-A1 Compositions containing a serotonin selective reuptake inhibitor and a 5-HT2A receptor antagonist PFIZER INC. 2005-03-31 US claimed
WO-2005002578-A1 COMPOSITIONS CONTAINING A SEROTONIN SELECTIVE REUPTAKE INHIBITOR AND A 5-HT2A RECEPTOR ANTAGONIST PFIZER PRODUCTS INC. (US) 2005-01-13 WO claimed
EP-0325063-B1 Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMA (US) 1994-03-09 EP claimed
US-5169096-A Serotonin antagonists, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1992-12-08 US claimed
US-4908369-A Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US claimed
EP-1644000-A1 COMPOSITIONS CONTAINING A SEROTONIN SELECTIVE REUPTAKE INHIBITOR AND A 5-HT2A RECEPTOR ANTAGONIST Pfizer Products Inc. (US) 2006-04-12 EP disclosed
US-20050070577-A1 Compositions containing a serotonin selective reuptake inhibitor and a 5-HT2A receptor antagonist PFIZER INC. 2005-03-31 US disclosed
WO-2005002578-A1 COMPOSITIONS CONTAINING A SEROTONIN SELECTIVE REUPTAKE INHIBITOR AND A 5-HT2A RECEPTOR ANTAGONIST PFIZER PRODUCTS INC. (US) 2005-01-13 WO disclosed
US-6004980-A TEATING DRUG ABUSE, RAYNAUD'S PHENOMENON, EXTRAPYRAMIDAL SYMPTOMS, ANOREXIA, ARRHYTHMIA, ANXIETY, AND FIBROMYALGIA WITH ANTISEROTONIN AGENT OR 5HT2 ANTAGONIST MERRELL PHARMACEUTICALS, INC. (US) 1999-12-21 US disclosed
US-5874445-A ADMINISTERING A THERAPEUTICAL AMOUNT OF (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOREPHENYL) ETHYL)-4-PIPERIDIENEMETHANOL FOR THE TREATMENT OF INTERMITTENT CLAUDICATION MERRELL PHARMACEUTICAL, INC. (US) 1999-02-23 US disclosed
US-5721249-A ADMINISTERING TO TREAT ANGINA MERRELL PHARMACEUTICALS INC. (US) 1998-02-24 US disclosed
US-5700812-A ANTISPASMODIC AGENT FOR CARDIOVASCULAR DISORDER, ANTISEROTONINE AGENT MERRELL PHARMACEUTICALS INC. (US) 1997-12-23 US disclosed
US-5021428-A Novel chemical compounds for the prophylactic treatment of migraine MERRELL DOW PHARMACEUTICALS INC. (US) 1991-06-04 US disclosed
US-4912117-A Therapy for varient angina MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-27 US disclosed
EP-0208235-B1 N-ARALKYL PIPERIDINEMETHANOL DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-10 EP disclosed
EP-0337136-A2 Piperidine derivatives in the treatment of extrapyramidal side effects associated with neuroleptic therapy MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-18 EP disclosed
EP-0325063-A1 Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMACEUTICALS INC. (US) 1989-07-26 EP disclosed
EP-0319962-A2 Piperidinyl methanol derivatives for the treatment of anxiety MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-14 EP disclosed
US-4783471-A N-aralkyl piperidine methanol derivatives and the uses thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-08 US 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 (1 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-20050070577-A1 Compositions containing a serotonin selective reuptake inhibitor and a 5-HT2A receptor antagonist HTR2A, HTR5A, HTR2C HTR2B 6/4885HTR2C 3/4885DRD1 79/4885

“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.