SCHEMBL2805338

SCHEMBL2805338

CCNCCN(CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
MCHR1 Q99705 1/20 0.41
MAOB P27338 1/20 0.39
KIF11 P52732 3/20 0.38
PYCR1 P32322 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RORC P51449 1/20 0.38
PLA2G7 Q13093 1/20 0.37
CHKA P35790 1/20 0.36
LSS P48449 1/20 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
SCHEMBL3456757 0.83 MCHR1 (0.48) HRH3MCHR1MAOBKIF11MEN1
SCHEMBL11939552 0.80 MAOB (0.44) MCHR1MAOBMEN1LMNAKMT2A
SCHEMBL2650572 0.78 SLC6A4 (0.46) MCHR1LMNA
SCHEMBL11464709 0.76 MEN1 (0.50) HRH3MCHR1MEN1LMNAKMT2A
SCHEMBL14021244 0.76 HRH4 (0.50) HRH3MAOBKIF11RORC
SCHEMBL8079472 0.76 MAOB (0.49) MAOBMEN1
SCHEMBL3455748 0.75 HRH4 (0.50) HRH3MCHR1MAOBKIF11LMNA
SCHEMBL22733029 0.74 HRH3 (0.44) HRH3MAOBKIF11PLA2G7
SCHEMBL6357114 0.74 MAOB (0.49) HRH3MAOBKIF11MEN1KMT2A
SCHEMBL11939551 0.73 HRH3 (0.45) HRH3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015087239-A1 PROCESSES FOR THE PREPARATION OF DARAPLADIB AND ITS INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2015-06-18 WO claimed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 US disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 US disclosed
US-9029383-B2 Methods of treatment of skin ulcers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-05-12 US disclosed
EP-2152865-B1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS UNIV JEFFERSON (US) 2015-04-15 EP disclosed
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-06-13 US disclosed
US-20100239565-A1 METHODS OF TREATMENT OF SKIN ULCERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-09-23 US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 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-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A HRH3 719/4885MCHR1 4600/4885MAOB 758/4885
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A HRH3 1428/4885MCHR1 3499/4885MAOB 180/4885
US-20100239565-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A HRH3 719/4885MCHR1 4600/4885MAOB 758/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B HRH3 1198/4885MCHR1 1774/4885MAOB 162/4885

“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.