SCHEMBL9891899

SCHEMBL9891899

CC(C)(C)C(=O)NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.58
DRD4 P21917 8/20 0.58
HTR1A P08908 4/20 0.58
KCNH2 Q12809 2/20 0.58
CHRM4 P08173 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ADRB1 P08588 1/20 0.48
PKM P14618 2/20 0.47
SLC6A7 Q99884 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
DRD3 P35462 1/20 0.46

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
SCHEMBL16480406 0.89 HDAC6 (0.51) DRD2HTR1ACHRM4HDAC6ADRB1
SCHEMBL9893124 0.87 HDAC6 (0.52) DRD2DRD4HTR1AKCNH2CHRM4
SCHEMBL1729313 0.78 PKM (0.55) DRD2HTR1ACHRM4HDAC6ADRB1
SCHEMBL19652155 0.76 ADRB1 (0.51) KCNH2CHRM4ADRB1PKMSLC6A7
SCHEMBL9108822 0.76 ADRB1 (0.59) HTR1AHDAC6ADRB1PKMSLC6A7
SCHEMBL9108819 0.76 PARP1 (0.56) HTR1ACHRM4HDAC6ADRB1PKM
SCHEMBL8354208 0.75 ADRB1 (0.78) HTR1AHDAC6ADRB1PKMSLC6A7
SCHEMBL3986386 0.75 ADRB1 (0.58) DRD2HTR1AHDAC6ADRB1PKM
SCHEMBL9891947 0.74 CHRM4 (0.48) DRD2DRD4HTR1ACHRM4HDAC6
SCHEMBL12969642 0.74 ADRB1 (0.68) ADRB1PKMSLC6A7CA12CA1

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 DRD2 246/4885DRD4 443/4885HTR1A 346/4885

“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.