SCHEMBL9893005

SCHEMBL9893005

CCC1CCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.48
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
GPR119 Q8TDV5 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
CHRNB1 P11230 1/20 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
SCHEMBL14724222 0.92 CXCR3 (0.49) CXCR3CNR2CNR1SMN1; SMN2HPGD
SCHEMBL12962012 0.83 CXCR3 (0.46) CXCR3CNR2CNR1SMN1; SMN2HPGD
SCHEMBL12962017 0.83 CXCR3 (0.46) CXCR3CNR2CNR1SMN1; SMN2HPGD
SCHEMBL16480380 0.82 CNR2 (0.49) CXCR3CNR2CNR1SMN1; SMN2KDM4E
SCHEMBL9891843 0.80 CNR2 (0.50) CNR2CNR1SMN1; SMN2HPGDKDM4E
SCHEMBL30003507 0.79 NR1I2 (0.42) HPGDNR1H2NR1H3MAPTALDH1A1
SCHEMBL9893169 0.79 FFAR1 (0.46) CNR2KDM4ENR1H2NR1H3GPR119
SCHEMBL9892989 0.79 FPR1 (0.44) CNR2CNR1KDM4EKMT2AMAPT
SCHEMBL16255265 0.78 CNR2 (0.50) CXCR3CNR2CNR1SMN1; SMN2KDM4E
SCHEMBL9893158 0.77 SMN1; SMN2 (0.44) CXCR3SMN1; SMN2HPGDKDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CXCR3 89/4885CNR2 1/4885CNR1 2/4885

“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.