SCHEMBL9892152

SCHEMBL9892152

O=C(Nc1nc2cc(F)ccc2[nH]1)[C@@H]1CCCN1C1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.70
CNR1 P21554 7/20 0.52
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL9892139 0.89 CNR2 (0.86) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9892151 0.84 CNR2 (0.79) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9892138 0.73 CNR2 (0.62) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9892150 0.69 CNR2 (1.00) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9892148 0.69 CNR2 (1.00) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9892144 0.69 CNR2 (0.57) CNR2CNR1NPC1RAB9ATUBB4A
SCHEMBL9892390 0.68 CNR2 (0.78) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL9891944 0.68 CNR2 (0.56) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL13256839 0.68 CNR2 (0.94) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL13257205 0.68 CNR2 (0.94) CNR2CNR1NPC1RAB9ASMN1; SMN2

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 4 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-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
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 2/4885NPC1 1904/4885

“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.