SCHEMBL9893045

SCHEMBL9893045

CCC1C[C@H](O)CN1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 3/20 0.44
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CETP P11597 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 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
SCHEMBL9893033 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ATDP1POLB
SCHEMBL16480375 0.85 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ATDP1POLB
SCHEMBL16480468 0.85 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ATDP1POLB
SCHEMBL9891886 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ATDP1POLB
SCHEMBL9891827 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ATDP1POLB
SCHEMBL9103651 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL3707374 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL3707377 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL9892995 0.79 CNR1 (0.50) SMN1; SMN2MEN1KMT2ATDP1POLB
SCHEMBL22187891 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ATDP1POLB

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 4659/4885MEN1 4874/4885KMT2A 3551/4885

“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.