Spergualin

Spergualin

SCHEMBL155206

O=C(NC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00
TACR3 P29371 3/20 0.76

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
Spergualin SCHEMBL155207 1.00 TACR1 (1.00) TACR1TACR3
Spergualin SCHEMBL2141936 1.00 TACR1 (1.00) TACR1TACR3
SCHEMBL13455243 0.94 TACR1 (0.88) TACR1TACR3
SCHEMBL3213158 0.94 TACR1 (0.88) TACR1TACR3
SCHEMBL3213164 0.94 TACR1 (0.88) TACR1TACR3
SCHEMBL15680033 0.94 TACR1 (0.88) TACR1TACR3
SCHEMBL19442726 0.93 TACR1 (0.86) TACR1TACR3
SCHEMBL4564061 0.89 TACR1 (0.80) TACR1TACR3
SCHEMBL4440310 0.89 TACR1 (0.80) TACR1TACR3
SCHEMBL4437054 0.89 TACR1 (0.80) TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4510290-B2 2010-07-21 JP claimed
US-7713984-B2 Pharmaceutical uses NOVARTIS AG (CH) 2010-05-11 US claimed
US-20100055176-A1 Method of Treating Fibromyalgia or Associated Functional Symptoms of Fibromyalgia NOVARTIS AG (CH) 2010-03-04 US claimed
US-20080161329-A1 Pharmaceutical uses NOVARTIS AG (CH) 2008-07-03 US claimed
US-20070155759-A1 Pharmaceutical uses FARBER LOTHAR 2007-07-05 US claimed
US-6949257-B2 Pharmaceutical compositions NOVARTIS AG (CH) 2005-09-27 US claimed
US-20050096334-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome FARBER LOTHAR (DE) 2005-05-05 US claimed
EP-1082119-B1 MICROEMULSION PRECONCENTRATES CONTAINING A PIPERIDINE SUBSTANCE P ANTAGONIST NOVARTIS AG (CH) 2004-01-07 EP claimed
US-20030152626-A1 New pharmaceutical compositions NOVARTIS AG (CH) 2003-08-14 US claimed
US-20030092735-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome FARBER LOTHAR (DE) 2003-05-15 US claimed
US-20020156099-A1 New pharmaceutical compositions LANG STEFFEN (CH) 2002-10-24 US claimed
JP-2002523363-A 2002-07-30 JP claimed
EP-1107744-A2 USE OF SUBSTANCE P ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME AND/OR FIBROMYALGIA AND USE OF NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME Novartis AG (CH) 2001-06-20 EP claimed
EP-1082119-A1 MICROEMULSION PRECONCENTRATES CONTAINING A PIPERIDINE SUBSTANCE P ANTAGONIST Novartis AG (CH) 2001-03-14 EP claimed
WO-2000010545-A2 USE OF SUBSTANCE P ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME AND/OR FIBROMYALGIA AND USE OF NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME NOVARTIS AG (CH) 2000-03-02 WO claimed
WO-1999061025-A1 MICROEMULSION PRECONCENTRATES CONTAINING A PIPERIDINE SUBSTANCE P ANTAGONIST NOVARTIS AG (CH) 1999-12-02 WO claimed
US-5965562-A TREATING DISORDERS INDUCED BY SUBSTANCE P AND MIGRAINE HEADACHE NOVARTIS CORPORATION (US) 1999-10-12 US claimed
EP-0707006-B1 Aroyl-piperidine derivatives NOVARTIS AG (CH) 1999-04-07 EP claimed
WO-1997045119-A1 USE OF SUBSTANCE P ANTAGONISTS FOR TREATING SOCIAL PHOBIA NOVARTIS AG (CH) 1997-12-04 WO claimed
EP-0707006-A1 Aroyl-piperidine derivatives CIBA-GEIGY AG (CH) 1996-04-17 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070155759-A1 Pharmaceutical uses TACR1, NPSR1, HTR5A TACR1 1/4885TACR3 398/4885
US-20100055176-A1 Method of Treating Fibromyalgia or Associated Functional Symptoms of Fibromyalgia FAAH, FPR1, NPFFR1 TACR1 11/4885TACR3 259/4885
US-20080161329-A1 Pharmaceutical uses TACR1, NPSR1, HTR5A TACR1 1/4885TACR3 398/4885
US-20050096334-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome TACR1, NPSR1, TACR2 TACR1 1/4885TACR3 27/4885
US-20030092735-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome TACR1, NPSR1, NPFFR1 TACR1 1/4885TACR3 128/4885

“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.