SCHEMBL9892972

SCHEMBL9892972

CCC1C[C@@H](O)CN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 1/20 0.44
CXCR3 P49682 4/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
ABL1 P00519 1/20 0.41
MAPT P10636 5/20 0.41
TACR1 P25103 2/20 0.41
TACR3 P29371 2/20 0.41
APAF1 O14727 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
SGPL1 O95470 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9893158 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HPGDCXCR3NR1H2NR1H3
SCHEMBL12962012 0.87 CXCR3 (0.46) SMN1; SMN2HPGDCXCR3NR1H2NR1H3
SCHEMBL12962017 0.87 CXCR3 (0.46) SMN1; SMN2HPGDCXCR3NR1H2NR1H3
SCHEMBL16480415 0.84 CXCR3 (0.45) SMN1; SMN2HPGDCXCR3KDM4ELMNA
SCHEMBL16480405 0.84 CXCR3 (0.45) SMN1; SMN2HPGDCXCR3KDM4ELMNA
SCHEMBL9891828 0.82 MAPT (0.43) SMN1; SMN2HPGDCXCR3NR1H2NR1H3
SCHEMBL9891883 0.82 MAPT (0.43) SMN1; SMN2HPGDCXCR3NR1H2NR1H3
SCHEMBL14724222 0.80 CXCR3 (0.49) SMN1; SMN2HPGDCXCR3NR1H2NR1H3
SCHEMBL9105531 0.78 LMNA (0.46) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL3710780 0.78 LMNA (0.46) SMN1; SMN2HPGDKDM4ELMNAABL1

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 SMN1; SMN2 4659/4885HPGD 601/4885CXCR3 89/4885

“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.