SCHEMBL4524040

SCHEMBL4524040

CN(CCCCO)c1c(-c2ccccc2)ccnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
FFAR4 Q5NUL3 3/20 0.34
FAAH O00519 1/20 0.33
ADORA1 P30542 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR7 P34969 2/20 0.33
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TACR1 P25103 1/20 0.32
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SLC9A5 Q14940 1/20 0.32
CSNK1D P48730 1/20 0.32

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
SCHEMBL4509953 0.96 FFAR4 (0.34) KDM4EPDCD1CD274FFAR4ADORA1
SCHEMBL4525263 0.90 CHEK1 (0.39) KDM4EPDCD1CD274HCRTR1HCRTR2
SCHEMBL4514397 0.87 MAPK14 (0.35) KDM4EFFAR4ALDH1A1SMN1; SMN2CSNK1D
SCHEMBL4516320 0.83 FYN (0.37) FFAR4HTR7ALDH1A1STK4STK3
SCHEMBL4515991 0.83 PIK3CA (0.35) KDM4EFFAR4ALDH1A1SMN1; SMN2CSNK1D
SCHEMBL4512708 0.79 SLC9A5 (0.37) KDM4EALDH1A1STK4STK3LRRK2
SCHEMBL4517455 0.77 STK4 (0.40) ALDH1A1STK4STK3LRRK2
SCHEMBL12765339 0.69 CHEK1 (0.45) PDCD1CD274CHEK1ALDH1A1LRRK2
SCHEMBL4524045 0.68 ADORA1 (0.40) PDCD1CD274ADORA1ALDH1A1SMN1; SMN2
SCHEMBL9755649 0.67 OPRM1 (0.47) KDM4EOPRM1OPRL1HTR7

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-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 KDM4E 2700/4885OPRM1 355/4885OPRL1 106/4885

“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.