SCHEMBL13801339

SCHEMBL13801339

O=CN1CCC(n2nc(-c3ccccc3)[nH]c2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.46
RAMP1 O60894 2/20 0.46
CTSS P25774 1/20 0.42
DRD4 P21917 9/20 0.37
DRD2 P14416 8/20 0.37
DRD3 P35462 7/20 0.37
NSD3 Q9BZ95 1/20 0.36
BTK Q06187 1/20 0.34
CNR1 P21554 4/20 0.34
GPR55 Q9Y2T6 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL12400695 0.85 CALCRL (0.47) CALCRLRAMP1CTSSDRD4DRD2
SCHEMBL13907972 0.85 CALCRL (0.47) CALCRLRAMP1CTSSDRD4DRD2
SCHEMBL13313602 0.85 CALCRL (0.47) CALCRLRAMP1CTSSDRD4DRD2
SCHEMBL12219072 0.83 HPGD (0.46) CALCRLRAMP1CTSSNSD3CNR1
SCHEMBL3278017 0.83 CALCRL (0.55) CALCRLRAMP1CTSSCNR1GPR55
SCHEMBL3278151 0.82 CALCRL (0.44) CALCRLRAMP1CTSSDRD4DRD2
SCHEMBL2257145 0.82 NSD3 (0.53) CALCRLRAMP1CTSSNSD3BTK
SCHEMBL404497 0.82 CALCRL (0.45) CALCRLRAMP1CTSSDRD4DRD2
SCHEMBL439501 0.82 CALCRL (0.45) CALCRLRAMP1CTSSDRD4DRD2
SCHEMBL4079747 0.80 CALCRL (0.48) CALCRLRAMP1CTSSDRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS CALCRL 255/4885RAMP1 354/4885CTSS 2562/4885

“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.