SCHEMBL5419965

SCHEMBL5419965

O=C(O)CCN1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
KDM1A O60341 2/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
GPBAR1 Q8TDU6 4/20 0.35
DRD3 P35462 2/20 0.34
NOTUM Q6P988 1/20 0.34
OPRL1 P41146 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
S1PR1 P21453 2/20 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
SCHEMBL5419862 0.94 DRD3 (0.41) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL5415343 0.89 GPBAR1 (0.36) KDM4EPOLBMAPTITGB3ITGA2B
SCHEMBL5596886 0.88 DRD3 (0.40) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL5410473 0.87 NOS3 (0.42) MAPTNR1H4GPBAR1DRD3OPRL1
SCHEMBL5412551 0.85 NR1H4 (0.39) NR1H4GPBAR1DRD3
SCHEMBL5413655 0.85 DRD2 (0.36) GPBAR1OPRL1
SCHEMBL5428164 0.84 MTNR1A (0.39)
SCHEMBL5410104 0.83 KDM1A (0.40) KMT2AKDM1AGPBAR1
SCHEMBL5405065 0.83 DRD2 (0.38) GPBAR1DRD3
SCHEMBL5412545 0.83 ITGB3 (0.41) KDM4EMEN1POLBMAPTKMT2A

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 KDM4E 3665/4885MEN1 3029/4885POLB 3657/4885

“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.