SCHEMBL9108822

SCHEMBL9108822

NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.59
HTR1A P08908 4/20 0.53
RBP4 P02753 1/20 0.49
PKM P14618 2/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A7 Q99884 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 2/20 0.47
OGA O60502 1/20 0.47
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
AXL P30530 1/20 0.42
HTR2C P28335 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL3986386 0.93 ADRB1 (0.58) ADRB1HTR1ARBP4PKMKMT2A
SCHEMBL8354208 0.85 ADRB1 (0.78) ADRB1HTR1ARBP4PKMKMT2A
SCHEMBL18997801 0.82 ADRB1 (0.54) ADRB1HTR1ARBP4PKMKMT2A
SCHEMBL12969642 0.81 ADRB1 (0.68) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL9108819 0.80 PARP1 (0.56) ADRB1HTR1ARBP4PKMKMT2A
SCHEMBL346015 0.80 ADRB1 (0.58) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL2834267 0.79 ADRB1 (0.61) ADRB1RBP4PKMKMT2ASLC6A7
SCHEMBL28070992 0.79 ADRB1 (0.73) ADRB1HTR1ARBP4PKMKMT2A
SCHEMBL16480406 0.78 HDAC6 (0.51) ADRB1HTR1APKMSLC6A7CA12
SCHEMBL13286847 0.77 ADRB1 (0.71) ADRB1RBP4PKMKMT2ASLC6A7

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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ADRB1 110/4885HTR1A 346/4885RBP4 3386/4885

“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.