SCHEMBL9108710

SCHEMBL9108710

C[C@@]1(C(=O)O)CCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.61
CNR2 P34972 2/20 0.61
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.46
HDAC11 Q96DB2 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
ABL1 P00519 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
HSD11B1 P28845 4/20 0.43
HSD11B2 P80365 4/20 0.43

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
SCHEMBL9108717 1.00 CNR1 (0.61) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL9892086 0.85 CNR1 (0.75) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL9893003 0.81 CNR1 (0.51) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL9103491 0.80 CNR1 (0.56) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL9103501 0.80 CNR1 (0.56) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL9891850 0.77 CNR1 (0.48) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL9892084 0.77 CNR2 (1.00) CNR1CNR2MAPTHPGDALDH1A1
SCHEMBL9892085 0.76 CNR1 (0.56) CNR1CNR2MAPTSMN1; SMN2HDAC11
SCHEMBL31381207 0.73 KDM4E (0.57) MAPTSMN1; SMN2KDM4EHPGDLMNA
SCHEMBL231893 0.71 HSD11B1 (0.62) MAPTSMN1; SMN2KDM4EHPGDLMNA

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 CNR1 2/4885CNR2 1/4885MAPT 4057/4885

“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.