SCHEMBL4459968

SCHEMBL4459968

COc1ccc2c(C(=O)Cl)c(C)c(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.57
TSHR P16473 1/20 0.54
PDE10A Q9Y233 1/20 0.54
TACR3 P29371 3/20 0.53
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGFR P43088 3/20 0.46

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
SCHEMBL5945399 0.90 PDE10A (0.68) DHODHTSHRPDE10ATACR3
SCHEMBL5945348 0.88 DHODH (0.63) DHODHTSHRPDE10ATACR3MAPT
Hydrochloric Acid SCHEMBL6848801 0.87 DHODH (0.61) DHODHTSHRPDE10ATACR3MAPT
SCHEMBL4463839 0.83 PDE10A (0.77) DHODHTSHRPDE10ATACR3ALDH1A1
SCHEMBL7451940 0.79 DHODH (0.56) DHODHTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6451847 0.79 ALDH1A1 (0.55) TACR3MAPTALDH1A1SMN1; SMN2PTGFR
SCHEMBL4471465 0.78 TACR3 (0.82) TSHRTACR3ALDH1A1SMN1; SMN2
SCHEMBL4471472 0.78 TACR3 (0.82) TSHRTACR3ALDH1A1SMN1; SMN2
SCHEMBL13957888 0.77 PTGFR (0.63) DHODHPTGFR
SCHEMBL2373290 0.77 DHODH (0.59) DHODHTSHRPDE10AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6743804-B2 A QUINOLINE DERIVATIVES, FOR TREATMENT OF CERTAIN CONDITIONS BY OVERSTIMULATION OF THE THACHYKININ RECEPTORS, DISORDERS OF CENTRAL NERVOUS SYSTEM, SCHIZOPHRENIA; NEURODEGENERATIVE DISORDERS ALZHEIMER DISEASE AND DOWN'S SYNDROME SMITHKLINE BEECHAM S P.A. (IT) 2004-06-01 US disclosed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US disclosed
US-20030195204-A1 Quinoline derivatives as NK3 antagonists SMITHKLINE BEECHAM S.P.A. 2003-10-16 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-0804419-B1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMA (IT) 2003-08-06 EP disclosed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP disclosed
EP-0874827-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS Smithkline Becham S.P.A. (IT) 1998-11-04 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-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO 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 (4 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-20030195204-A1 Quinoline derivatives as NK3 antagonists KCNK3, KCND3, KCNN3 DHODH 1916/4885TSHR 2427/4885PDE10A 1648/4885
US-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 DHODH 1945/4885TSHR 1185/4885PDE10A 3085/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 DHODH 1855/4885TSHR 931/4885PDE10A 3540/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 DHODH 4490/4885TSHR 578/4885PDE10A 3089/4885

“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.