SCHEMBL5410130

SCHEMBL5410130

CN(C)CCCN1CCC(N2CCc3cnc(O)c4cccc2c34)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
DRD3 P35462 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTR4 Q13639 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
ADRA1A P35348 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
CACNA1F O60840 1/20 0.34
SLC22A3 O75751 1/20 0.34
HTR3B O95264 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PRNP P04156 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 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
SCHEMBL5406936 0.94 KDM4E (0.35) DRD2DRD3SIGMAR1LMNAMAPT
SCHEMBL5418313 0.94 HTR4 (0.35) DRD2DRD3SIGMAR1LMNAMAPT
SCHEMBL5407027 0.89 DRD3 (0.39) DRD2DRD3HTR2AHTR2CADRA1A
SCHEMBL5418005 0.89 KDM4E (0.36) DRD2DRD3LMNAMAPTALDH1A1
SCHEMBL5415623 0.89 DRD3 (0.37) DRD2DRD3CHRM2CHRM4CHRM5
SCHEMBL5421294 0.87 DRD2 (0.38) DRD2DRD3HTR2AHTR2CADRA1A
SCHEMBL5427570 0.86 KDM1A (0.36) DRD3
SCHEMBL5410173 0.86 NOS3 (0.36) DRD2DRD3KCNH2KDM4E
SCHEMBL5420972 0.86 DRD3 (0.36) DRD2DRD3
SCHEMBL5409922 0.85 CARM1 (0.36) DRD2

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 DRD2 2064/4885DRD3 1030/4885SIGMAR1 1061/4885

“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.