SCHEMBL4153926

SCHEMBL4153926

CCOC(=O)C1(c2cccc(Br)c2)CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
OPRM1 P35372 8/20 0.58
OPRD1 P41143 7/20 0.58
OPRK1 P41145 6/20 0.58
KCNA3 P22001 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
SLC22A1 O15245 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
KCNH2 Q12809 1/20 0.52
GAA P10253 1/20 0.50

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
SCHEMBL17187971 0.89 OPRM1 (0.72) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL8236858 0.88 KDM4E (0.61) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL4155932 0.85 KDM4E (0.63) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL11282136 0.82 OPRM1 (0.80) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL703650 0.81 KDM4E (0.69) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL670971 0.79 OPRM1 (0.56) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL14710358 0.79 OPRM1 (0.53) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL702418 0.78 KDM4E (0.66) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL10567213 0.77 OPRM1 (0.53) KDM4ENPSR1OPRM1OPRD1OPRK1
SCHEMBL4506478 0.77 OPRM1 (0.53) NPSR1OPRM1OPRD1OPRK1SLC22A1

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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US 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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS BACE2, BACE1, PMP22 KDM4E 2960/4885NPSR1 696/4885OPRM1 2303/4885

“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.