SCHEMBL5077903

SCHEMBL5077903

COc1ccccc1N(C)[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.67
CACNA1F O60840 1/20 0.54
CHRM5 P08912 1/20 0.54
CACNA1D Q01668 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
GPR65 Q8IYL9 1/20 0.54
MRGPRX1 Q96LB2 2/20 0.50
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9323013 1.00 TACR1 (0.67) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL27705860 1.00 TACR1 (0.67) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9743563 0.94 TACR1 (0.61) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322730 0.91 TACR1 (0.57) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322561 0.91 TACR1 (0.62) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9741775 0.91 TACR1 (0.57) TACR1CACNA1FCHRM5CACNA1DCACNA1S
SCHEMBL9322536 0.91 TACR1 (0.57) TACR1CACNA1FCHRM5CACNA1DCACNA1S
Hydrochloric Acid SCHEMBL9767492 0.91 TACR1 (0.57) TACR1CACNA1FCHRM5CACNA1DCACNA1S
Hydrochloric Acid SCHEMBL9323218 0.91 TACR1 (0.57) TACR1CACNA1FCHRM5CACNA1DCACNA1S
Hydrochloric Acid SCHEMBL9741802 0.90 TACR1 (0.56) TACR1CACNA1FCHRM5CACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214692-B2 Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2007-05-08 US claimed
US-20050085414-A1 Novel medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2005-04-21 US claimed
US-20020052351-A1 Novel medical use for tachykinin antagonists GLAXO GROUP LIMITED 2002-05-02 US claimed
EP-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP claimed
US-5162339-A Substance P Antagonists, Gastrointestinal and Central Nervous System Disorders, Antiinflammatory Agents, Analgesics PFIZER INC. (US) 1992-11-10 US claimed
EP-0409931-A1 QUINUCLIDINE THERAPEUTIC AGENTS. PFIZER (US) 1991-01-30 EP claimed
WO-1990005525-A1 QUINUCLIDINE DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1990-05-31 WO claimed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 WO claimed
US-7342028-B2 Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2008-03-11 US disclosed
US-7214692-B2 Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20050085414-A1 Novel medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-0533280-B2 Novel medical use for tachykinin antagonists GLAXO GROUP LTD (GB) 2004-12-01 EP disclosed
US-20020052351-A1 Novel medical use for tachykinin antagonists GLAXO GROUP LIMITED 2002-05-02 US disclosed
US-6326383-B1 EMESIS THERAPY GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-0409931-B1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER (US) 1994-02-16 EP disclosed
EP-0533280-A1 Novel medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
US-5162339-A Substance P Antagonists, Gastrointestinal and Central Nervous System Disorders, Antiinflammatory Agents, Analgesics PFIZER INC. (US) 1992-11-10 US disclosed
EP-0409931-A1 QUINUCLIDINE THERAPEUTIC AGENTS. PFIZER (US) 1991-01-30 EP disclosed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 WO disclosed
WO-1990005525-A1 QUINUCLIDINE DERIVATIVES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1990-05-31 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 (2 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-20050085414-A1 Novel medical use for tachykinin antagonists TACR1, TACR2, NPSR1 TACR1 1/4885CACNA1F 633/4885CHRM5 263/4885
US-20020052351-A1 Novel medical use for tachykinin antagonists TACR1, TACR2, NPSR1 TACR1 1/4885CACNA1F 657/4885CHRM5 251/4885

“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.