SCHEMBL5408645

SCHEMBL5408645

CC(=O)NCCCN1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 2/20 0.37
CCR3 P51677 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
SCHEMBL5410451 0.95 CCR3 (0.39) CCR3
SCHEMBL5428164 0.94 MTNR1A (0.39) ROCK2ROCK1
SCHEMBL5415255 0.91 DRD2 (0.43) GSK3B
SCHEMBL5428005 0.89 MTNR1A (0.37) CCR3
SCHEMBL5405084 0.88 DRD2 (0.37) ROCK2ROCK1HTR2AHTR2CSLC6A4
SCHEMBL5415562 0.86 DRD2 (0.40) CCR3
SCHEMBL5418251 0.85 MTNR1A (0.42) ROCK2ROCK1
SCHEMBL5412551 0.84 NR1H4 (0.39) ROCK2ROCK1
SCHEMBL5410131 0.84 CYP2D6 (0.37) ROCK2ROCK1KDM4EHSD17B10CCR3
SCHEMBL5597043 0.84 PIK3CD (0.38)

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 3 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

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 ROCK2 795/4885ROCK1 297/4885HTR2A 1671/4885

“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.