SCHEMBL4459322

SCHEMBL4459322

[O]C1CC(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.61
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2B P41595 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.44
ACHE P22303 1/20 0.41
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIM1 P11309 1/20 0.40
RAB9A P51151 2/20 0.36

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
SCHEMBL5539639 0.79 ACHE (0.63) S100A4MAPTMEN1KMT2AACHE
SCHEMBL5536280 0.77 S100A4 (0.45) S100A4MAPTTP53LMNACYP1A2
SCHEMBL30661167 0.76 S100A4 (1.00) S100A4MAPTTP53LMNACYP1A2
SCHEMBL30661170 0.76 S100A4 (1.00) S100A4MAPTTP53LMNACYP1A2
SCHEMBL66876 0.76 ACHE (0.64) S100A4MAPTTP53LMNACYP1A2
SCHEMBL10983987 0.76 S100A4 (0.59) S100A4MAPTTP53LMNACYP1A2
SCHEMBL3738477 0.76 S100A4 (0.64) S100A4MAPTTP53LMNACYP1A2
SCHEMBL8673469 0.76 S100A4 (0.59) S100A4MAPTTP53LMNACYP1A2
SCHEMBL2599235 0.76 S100A4 (1.00) S100A4MAPTTP53LMNACYP1A2
SCHEMBL16377312 0.72 S100A4 (0.55) S100A4MAPTTP53LMNACYP1A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940391-B1 Quinoline derivatives as tachykinin NK3 receptor antagonists GLAXOSMITHKLINE SPA (IT) 2004-08-18 EP claimed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US claimed
US-6608083-B1 Treatment and/or prophylaxis of convulsive disorders, renal disorders, urinary incontinence, ocular inflammation, eating disorders, inflammatory pain, allergic rhinitis, psoriasis,neurodegenerative disorders, Huntington's disease, SMITHKLINE BEECHAM FARMACEUTICI S.P.A (IT) 2003-08-19 US claimed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP claimed
US-5811553-A TREATMENT OF NEURODEGENERATIVE DISORDERS, PULMONARY DISORDERS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1998-09-22 US claimed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 WO claimed
US-20230128029-A1 NEUROKININ ANTAGONISTS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-04-27 US disclosed
US-20190125738-A1 NEUROKININ ANTAGONISTS AND USES THEREOF HOWARD HUGHES MEDICAL INSTITUTE 2019-05-02 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-20060160846-A1 Quinoline derivatives SMITHKLINE BEECHAM FARMAEUTICI S.P.A. 2006-07-20 US disclosed
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders FARINA CARLO (IT) 2005-05-05 US disclosed
EP-0940391-B1 Quinoline derivatives as tachykinin NK3 receptor antagonists GLAXOSMITHKLINE SPA (IT) 2004-08-18 EP disclosed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US disclosed
US-6608083-B1 Treatment and/or prophylaxis of convulsive disorders, renal disorders, urinary incontinence, ocular inflammation, eating disorders, inflammatory pain, allergic rhinitis, psoriasis,neurodegenerative disorders, Huntington's disease, SMITHKLINE BEECHAM FARMACEUTICI S.P.A (IT) 2003-08-19 US disclosed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP disclosed
US-5811553-A TREATMENT OF NEURODEGENERATIVE DISORDERS, PULMONARY DISORDERS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1998-09-22 US disclosed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP disclosed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 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 (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-20230128029-A1 NEUROKININ ANTAGONISTS AND USES THEREOF CRH, NTSR2, TACR2 S100A4 611/4885MAPT 4739/4885TP53 4386/4885
US-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 S100A4 4218/4885MAPT 1426/4885TP53 4524/4885
US-20190125738-A1 NEUROKININ ANTAGONISTS AND USES THEREOF CRH, NTSR2, TACR2 S100A4 611/4885MAPT 4739/4885TP53 4386/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 S100A4 4432/4885MAPT 1803/4885TP53 3686/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 S100A4 4559/4885MAPT 1068/4885TP53 3145/4885

“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.