SCHEMBL9108819

SCHEMBL9108819

NC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
ADRB1 P08588 1/20 0.56
PKM P14618 2/20 0.54
SLC6A7 Q99884 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.46
RBP4 P02753 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 3/20 0.45
OGA O60502 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8354208 0.82 ADRB1 (0.78) PARP1ADRB1PKMSLC6A7CA12
SCHEMBL9108822 0.80 ADRB1 (0.59) PARP1ADRB1PKMSLC6A7CA12
SCHEMBL3986386 0.79 ADRB1 (0.58) PARP1ADRB1PKMSLC6A7CA12
SCHEMBL5232026 0.79 SLC6A7 (0.68) PARP1ADRB1PKMSLC6A7CA12
SCHEMBL4406529 0.77 ALDH1A1 (0.60) PKMCA1CA2CA9KDM4E
SCHEMBL16480406 0.77 HDAC6 (0.51) ADRB1PKMSLC6A7CA12CA1
SCHEMBL5904089 0.77 PKM (0.60) PARP1ADRB1PKMSLC6A7CA12
SCHEMBL28982961 0.76 TIPARP (0.51) PARP1KMT2AMAPK1ALDH1A1HTT
SCHEMBL28070992 0.76 ADRB1 (0.73) PARP1ADRB1PKMSLC6A7CA12
SCHEMBL9893124 0.76 HDAC6 (0.52) PARP1ADRB1PKMSLC6A7CA12

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 2 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

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 PARP1 1041/4885ADRB1 110/4885PKM 2979/4885

“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.