SCHEMBL954192

SCHEMBL954192

CC1(C)COC(c2ccc(C(F)(F)F)cc2)=N1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HRH3 Q9Y5N1 4/20 0.47
CYP2D6 P10635 1/20 0.47
KIF11 P52732 3/20 0.40
IL2 P60568 1/20 0.37

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
SCHEMBL18130718 0.86 LMNA (0.45) LMNAMAPTHTTKDM4EHRH3
SCHEMBL471858 0.86 KDM4E (0.60) LMNAMAPTHTTKDM4EHRH3
SCHEMBL2678996 0.85 KDM4E (0.46) LMNAMAPTHTTKDM4EHRH3
SCHEMBL7513299 0.85 KDM4E (0.44) LMNAMAPTHTTKDM4EHRH3
SCHEMBL707643 0.85 KDM4E (0.49) LMNAMAPTHTTKDM4EHRH3
SCHEMBL3751992 0.81 LMNA (0.55) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5378874 0.80 KIF11 (0.42) LMNAMAPTHTTKDM4EHRH3
SCHEMBL3030444 0.80 HRH3 (0.50) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5227880 0.79 KDM4E (0.53) LMNAMAPTHTTKDM4EHRH3
SCHEMBL20409590 0.79 KDM4E (0.53) LMNAMAPTHTTKDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925575-B Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanillic acid receptor antagonist AMOREPACIFIC CORP 2014-06-18 CN disclosed
EP-2238105-B1 NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS AMOREPACIFIC CORP (KR) 2014-04-16 EP disclosed
EP-2238105-B1 NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS AMOREPACIFIC CORP (KR) 2014-04-16 EP disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-01-20 US disclosed
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 EP disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 US disclosed
US-6133286-A ANTAGONISTS; ANTIINFLAMMATORY AGENTS FOR RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHER SKIN DISORDERS, E.G., ECZEMA, ERYTHEMA, PRURITUS AND ACNE; STROKE, REPERFUSION INJURY, GRAFTING PFIZER INC. (US) 2000-10-17 US disclosed
US-6051601-A USEFUL OF INFLAMMATORY DISORDERS INCLUDING RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHER SKIN DISORDERS SUCH AS ECZEMA, ERYTHEMA, PRURITUS AND ACNE, STROKE AND OTHER FORMS OF REPERFUSLON PFIZER INC. (US) 2000-04-18 US disclosed
EP-0984963-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
WO-1998054180-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 WO disclosed
EP-0785930-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B 4? (LTB 4?) ANTAGONISTS PFIZER INC. (US) 1997-07-30 EP disclosed
WO-1996011920-A1 BENZOPYRAN AND BENZO-FUSED COMPOUNDS, THEIR PREPARATION AND THEIR USE AS LEUKOTRIENE B4 (LTB4) ANTAGONISTS PFIZER INC. (US) 1996-04-25 WO disclosed
US-5395827-A Analgesic, anticonvulsant, antiepileptic and anxiolytic agents GUILFORD PHARMACEUTICALS INC. (US) 1995-03-07 US disclosed
WO-1993005772-A1 φ-[2-(PHOSPHONOALKYL)PHENYL]-2-AMINOALKANOIC ACIDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS NOVA PHARMACEUTICAL CORPORATION (US) 1993-04-01 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-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 LMNA 4285/4885MAPT 4334/4885HTT 3226/4885
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 LMNA 4285/4885MAPT 4334/4885HTT 3226/4885

“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.