SCHEMBL5406965

SCHEMBL5406965

O=C(O)CN1CCC(N2CCc3cnc(O)c4cccc2c34)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
ABL2 P42684 1/20 0.33
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TGM2 P21980 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SCD O00767 1/20 0.31

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
SCHEMBL5420408 0.94 DRD3 (0.35) MAPTKDM4ETP53ABL1EGFR
SCHEMBL5427732 0.90 KDM4E (0.38) MAPTKDM4EITGB3ITGA2B
SCHEMBL5410797 0.86 DRD3 (0.40) MAPTKDM4EALDH1A1
SCHEMBL5423943 0.85 NOS3 (0.41) MAPTKDM4EABL1EGFRLCK
SCHEMBL5421510 0.84 NOS3 (0.35) KDM4EABL1EGFRLCKSRC
SCHEMBL5428066 0.83 NOS3 (0.36) KDM4EABL1EGFRLCKSRC
SCHEMBL5412618 0.82 MTNR1A (0.39) KDM4EALDH1A1
SCHEMBL5423993 0.82 DRD2 (0.34) ABL1EGFRLCKSRCABL2
SCHEMBL5596787 0.82 SCN9A (0.39) SCD
SCHEMBL5423676 0.82 HTR2A (0.41)

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 MAPT 4148/4885KDM4E 3665/4885TP53 3468/4885

“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.