SCHEMBL5408638

SCHEMBL5408638

CN(C)[C@H]1CC[C@H](N2CCc3cnc(O)c4cccc2c34)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
SCD O00767 1/20 0.32
CHRM3 P20309 1/20 0.32
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
PTPN11 Q06124 1/20 0.30

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
SCHEMBL5415061 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5408633 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5418182 0.88 HTR2A (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5596783 0.86 SCN9A (0.36) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5412824 0.86 HTR2A (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5410528 0.85 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5420136 0.84 NOS1 (0.41) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5596787 0.83 SCN9A (0.39) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5418022 0.83 HTR2C (0.44) SCDCHRM3
SCHEMBL5418005 0.82 KDM4E (0.36) OPRM1OPRD1OPRK1OPRL1

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 OPRM1 1052/4885OPRD1 1113/4885OPRK1 587/4885

“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.