SCHEMBL1413601

SCHEMBL1413601

Fc1ccc(NCC2CCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.43
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
CHEK1 O14757 1/20 0.42
SCN9A Q15858 1/20 0.41
PRKCQ Q04759 1/20 0.41
TDO2 P48775 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
CHRM3 P20309 1/20 0.38
NAMPT P43490 1/20 0.38
CDK4 P11802 1/20 0.37

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
SCHEMBL21605922 0.90 KDM1A (0.44) KDM1ACHEK1BRD4ATAD2CDK4
SCHEMBL21605932 0.90 KDM1A (0.44) KDM1ACHEK1BRD4ATAD2CDK4
SCHEMBL3053522 0.90 SCN9A (0.47) BRD3KDM1AMAOBCHEK1SCN9A
SCHEMBL1203475 0.83 KDM1A (0.55) KDM1AMAOBPRKCQTDO2BRD4
SCHEMBL27551537 0.83 KDM1A (0.55) KDM1AMAOBPRKCQTDO2BRD4
SCHEMBL25330831 0.80 JAK2 (0.45) BRD4
SCHEMBL13762185 0.80 EP300 (0.43) KDM1AMAOBCHEK1PRKCQTDO2
SCHEMBL22414312 0.75 RAB9A (0.44)
SCHEMBL1565671 0.75 RAB9A (0.44)
SCHEMBL530604 0.74 CHEK1 (0.44) KDM1ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 BRD3 718/4885KDM1A 1696/4885MAOB 323/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG BRD3 778/4885KDM1A 1560/4885MAOB 380/4885

“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.