SCHEMBL5419231

SCHEMBL5419231

CCC(=O)NCCN1CCC(N2CCc3cnc(O)c4cccc2c34)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 2/20 0.39
CCR3 P51677 2/20 0.35
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL5412845 0.95 DRD2 (0.39) MTNR1AMTNR1BCCR3DRD3DRD2
SCHEMBL5414913 0.95 MTNR1A (0.41) MTNR1AMTNR1BDRD3DRD2OPRD1
SCHEMBL5405069 0.91 MTNR1A (0.38) MTNR1AMTNR1BCCR3DRD3DRD2
SCHEMBL5420274 0.90 DRD2 (0.42) MTNR1AMTNR1BDRD3DRD2
SCHEMBL5409922 0.87 CARM1 (0.36) DRD2
SCHEMBL5425381 0.86 CCR3 (0.38) CCR3DRD3DRD2
SCHEMBL5412618 0.86 MTNR1A (0.39) MTNR1ACCR3DRD2OPRD1
SCHEMBL5428041 0.84 MTNR1A (0.41) MTNR1AMTNR1BCCR3
SCHEMBL5421294 0.84 DRD2 (0.38) CCR3DRD3DRD2
SCHEMBL5410797 0.84 DRD3 (0.40) DRD3DRD2OPRD1

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 MTNR1A 527/4885MTNR1B 731/4885CCR3 1169/4885

“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.