SCHEMBL5410104

SCHEMBL5410104

CC(=O)N(C)CCN1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
PLD1 Q13393 1/20 0.39
ACHE P22303 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
OXTR P30559 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
KMT2A Q03164 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL5415953 0.94 KDM1A (0.37) KDM1APLD1ACHE
SCHEMBL5415185 0.85 KDM1A (0.39) KDM1APLD1ACHEHRH3
SCHEMBL5428164 0.84 MTNR1A (0.39) PLD1ROCK2ROCK1
SCHEMBL5410382 0.83 KDM1A (0.39) KDM1APLD1ACHEHRH3OXTR
SCHEMBL5419965 0.83 KDM4E (0.39) KDM1AGPBAR1KMT2A
SCHEMBL5410473 0.83 NOS3 (0.42) GPBAR1ROCK2ROCK1
SCHEMBL5408645 0.82 ROCK2 (0.40) ROCK2ROCK1
SCHEMBL5412551 0.81 NR1H4 (0.39) GPBAR1ROCK2ROCK1
SCHEMBL5415343 0.81 GPBAR1 (0.36) GPBAR1
SCHEMBL5413655 0.81 DRD2 (0.36) GPBAR1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160894-B2 Antagonist of phosphorylation of myosin regulatory light chain, enzyme inhibitors; therapeutic treatment of glaucoma, bronchial asthma, chronic obstructive pulmonary disease, nervous system disorders; 4-(2,3-dihydro-1,5-diazaphenalen-1-yl)cyclohexylamine ASAHI KASEI PHARMA CORPORATION (JP) 2007-01-09 US claimed
EP-1632492-A1 TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2006-03-08 EP claimed
US-20050096310-A1 Tricyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-05-05 US claimed
US-7160894-B2 Antagonist of phosphorylation of myosin regulatory light chain, enzyme inhibitors; therapeutic treatment of glaucoma, bronchial asthma, chronic obstructive pulmonary disease, nervous system disorders; 4-(2,3-dihydro-1,5-diazaphenalen-1-yl)cyclohexylamine ASAHI KASEI PHARMA CORPORATION (JP) 2007-01-09 US disclosed
EP-1632492-A1 TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2006-03-08 EP disclosed
US-20050096310-A1 Tricyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-05-05 US 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 (1 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-20050096310-A1 Tricyclic compound MYLK3, CSNK1A1L, MYLK KDM1A 2364/4885PLD1 1803/4885ACHE 770/4885

“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.