SCHEMBL9893083

SCHEMBL9893083

O=C(Nc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ROCK2 O75116 2/20 0.47
LPAR2 Q9HBW0 1/20 0.47
PSMB8 P28062 2/20 0.47
CNR2 P34972 1/20 0.46
CYP1A2 P05177 1/20 0.44
ULK1 O75385 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HTR2C P28335 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RIPK1 Q13546 1/20 0.42

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
SCHEMBL16254959 0.97 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL28846176 0.79 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL9891944 0.77 CNR2 (0.56) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL14643150 0.75 ABL1 (0.60) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL9893032 0.74 LMNA (0.63) NPC1RAB9APOLBTDP1LPAR2
SCHEMBL29640018 0.74 ROCK2 (0.59) NPC1RAB9AROCK2PSMB8CYP1A2
SCHEMBL13256813 0.74 CNR2 (0.54) NPC1RAB9ASMN1; SMN2POLBROCK2
SCHEMBL11706151 0.73 NPC1 (0.72) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL85092 0.73 RAB9A (0.56) NPC1RAB9ASMN1; SMN2POLBROCK2
SCHEMBL15944985 0.73 LPAR2 (0.84) NPC1RAB9ASMN1; SMN2POLBTDP1

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-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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 NPC1 1904/4885RAB9A 2299/4885SMN1; SMN2 4659/4885

“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.