SCHEMBL4772258

SCHEMBL4772258

CC=C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.61
MC4R P32245 1/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
ACHE P22303 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
CYP3A4 P08684 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DRD4 P21917 1/20 0.50
CCR3 P51677 1/20 0.47
GAA P10253 1/20 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
SCHEMBL8380136 0.82 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL27323535 0.81 SIGMAR1 (0.55) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL7380692 0.81 SIGMAR1 (0.55) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL2257602 0.80 SIGMAR1 (0.59) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL27323536 0.80 SIGMAR1 (0.59) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL4506489 0.80 SIGMAR1 (0.53) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL2452523 0.79 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL28543867 0.79 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL15012035 0.79 SIGMAR1 (0.68) SIGMAR1MC4RLMNAPOLBACHE
SCHEMBL27244285 0.78 SIGMAR1 (0.52) SIGMAR1MC4RLMNAHRH3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 US disclosed
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
WO-2008025857-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2008-03-06 WO disclosed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US disclosed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 SIGMAR1 3734/4885MC4R 4000/4885LMNA 4358/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 SIGMAR1 4289/4885MC4R 853/4885LMNA 1057/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 SIGMAR1 3387/4885MC4R 4245/4885LMNA 4007/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SIGMAR1 2330/4885MC4R 2073/4885LMNA 1917/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 SIGMAR1 4754/4885MC4R 1323/4885LMNA 1647/4885

“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.