SCHEMBL5410309

SCHEMBL5410309

CN(CCN)C1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
GPBAR1 Q8TDU6 4/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
DRD2 P14416 4/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL5410525 0.90 HTR2A (0.36) HTR2AGPBAR1OPRM1OPRD1OPRK1
SCHEMBL5410248 0.86 HTR1A (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5421523 0.86 HTR1A (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5410252 0.86 HTR1A (0.38) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL14594175 0.85 KDM4E (0.42) HTR2AGPBAR1OPRM1OPRD1OPRK1
SCHEMBL5596599 0.82 GPBAR1 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5421579 0.80 GPBAR1 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5413655 0.80 DRD2 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5415719 0.79 ROCK2 (0.36) GPBAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5407101 0.79 VCP (0.37) GPBAR1OPRM1OPRD1OPRK1OPRL1

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 2 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
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 HTR2A 1671/4885GPBAR1 2851/4885OPRM1 1052/4885

“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.