SCHEMBL1347528

SCHEMBL1347528

CC1CCCC(CCNCc2ccc(-c3cccc(C(N)=O)c3)nc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
HTR5A P47898 2/20 0.41
LRRK2 Q5S007 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HPGDS O60760 1/20 0.38
ACP1 P24666 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
FYN P06241 3/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
SLC2A1 P11166 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL1345704 0.89 KDM1A (0.46) KDM1AHTR5ALRRK2PDCD1CD274
SCHEMBL1347678 0.89 KDM1A (0.47) KDM1AHTR5APDCD1CD274CYP11B1
SCHEMBL1345822 0.89 KDM1A (0.47) KDM1AHTR5APDCD1CD274CYP11B1
SCHEMBL13929390 0.86 KDM1A (0.47) KDM1AHTR5APDCD1CD274CYP11B1
SCHEMBL1348483 0.83 KDM1A (0.48) KDM1ALRRK2CD274CYP11B1CYP11B2
SCHEMBL1347747 0.79 KDM1A (0.51) KDM1APDCD1CD274CYP11B1CYP11B2
SCHEMBL1347869 0.79 KDM1A (0.46) KDM1AHTR5APDCD1CD274CYP11B1
SCHEMBL12133483 0.77 KDM1A (0.50) KDM1APDCD1CD274CYP11B1CYP11B2
SCHEMBL1348274 0.77 KDM1A (0.49) KDM1ALRRK2CD274CYP11B1CYP11B2
SCHEMBL1347563 0.77 HTR5A (0.42) HTR5ACYP11B1CYP11B2HPGDSOPRM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KDM1A 2408/4885HTR5A 207/4885LRRK2 2079/4885

“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.