SCHEMBL9105524

SCHEMBL9105524

FC(F)(F)c1cnc(N2CCCC2)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.75
SMN1; SMN2 Q16637 7/20 0.61
LMNA P02545 3/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MAPT P10636 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
CNR2 P34972 4/20 0.58
PKM P14618 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL4907149 0.87 POLB (0.71) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL1999759 0.87 POLB (0.71) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL30223409 0.87 POLB (0.63) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL2009112 0.87 POLB (0.63) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL14136353 0.86 SMN1; SMN2 (0.70) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL232841 0.86 POLB (0.69) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL3928781 0.86 POLB (0.69) POLBSMN1; SMN2LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL25310714 0.84 POLB (0.68) POLBSMN1; SMN2LMNANPC1RAB9A
SCHEMBL14500079 0.84 POLB (0.68) POLBSMN1; SMN2LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL2966520 0.84 POLB (0.68) POLBSMN1; SMN2LMNANPC1RAB9A

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 3 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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO 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 POLB 2879/4885SMN1; SMN2 4659/4885LMNA 4696/4885

“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.