SCHEMBL9892390

SCHEMBL9892390

O=C(Nc1nc2cc(Cl)c(Cl)cc2s1)[C@@H]1CCCN1C1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.78
CNR1 P21554 4/20 0.78
NPY4R P50391 2/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CLK1 P49759 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL9892150 0.88 CNR2 (1.00) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL9892148 0.88 CNR2 (1.00) CNR2CNR1NPY4RALDH1A1LMNA
SCHEMBL13256839 0.85 CNR2 (0.94) CNR2CNR1NPY4RALDH1A1LMNA
SCHEMBL13257205 0.85 CNR2 (0.94) CNR2CNR1NPY4RALDH1A1LMNA
SCHEMBL13257052 0.85 CNR2 (0.94) CNR2CNR1NPY4RALDH1A1LMNA
SCHEMBL9892788 0.81 CNR2 (0.89) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL9892151 0.80 CNR2 (0.79) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9892847 0.76 CNR2 (0.65) CNR2CNR1ALDH1A1LMNANPC1
SCHEMBL9892139 0.72 CNR2 (0.86) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9892093 0.72 CNR2 (0.72) CNR2CNR1NPC1RAB9A

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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 CNR2 1/4885CNR1 2/4885NPY4R 117/4885

“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.