SCHEMBL1265760

SCHEMBL1265760

O=C(N[C@@H]1CC[C@@H](O)c2ccccc21)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PGR P06401 8/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TLR9 Q9NR96 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BDKRB1 P46663 1/20 0.37
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL19215849 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL15007192 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL18531736 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL15007184 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL14856082 1.00 MTNR1A (0.41) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL29410344 0.87 GAA (0.40) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL8062901 0.87 GAA (0.40) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL15001004 0.83 TAS1R3 (0.52) MTNR1AMTNR1BPGRLMNAGAA
SCHEMBL15013829 0.82 LMNA (0.38) PGRLMNAGAAKDM4EALDH1A1
SCHEMBL15007155 0.82 LMNA (0.38) PGRLMNAGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580212-B1 Urea derivatives and their therapeutic use in the treatment of, inter alia, diseases of the respiratory tract CHIESI FARMA SPA (IT) 2015-01-28 EP disclosed
US-8916708-B2 Urea derivatives and their therapeutic use in the treatment of, inter alia, diseases of the respiratory tract CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-23 US disclosed
US-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2014-06-19 US disclosed
US-20130143914-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-06 US disclosed
EP-2580212-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.p.A. (IT) 2013-04-17 EP disclosed
WO-2011154738-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-15 WO disclosed
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 US disclosed
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 US disclosed
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
WO-2009048474-A1 2,7,9-SUBSTITUTED PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2009-04-16 WO disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 US disclosed
WO-2008043019-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL) PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC (US) 2008-04-10 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-20130143914-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT ARG2, MAPK1, URB2 MTNR1A 1894/4885MTNR1B 973/4885PGR 2152/4885
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, KIT, ADORA2A MTNR1A 439/4885MTNR1B 518/4885PGR 2311/4885
US-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES JAK1, JAK3, JAK2 MTNR1A 1098/4885MTNR1B 775/4885PGR 361/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 MTNR1A 409/4885MTNR1B 454/4885PGR 2431/4885

“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.