SCHEMBL1344179

SCHEMBL1344179

O=C1CN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCN1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 2/20 0.65
NPC1 O15118 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
GPR183 P32249 8/20 0.55
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.46
CCR2 P41597 3/20 0.45

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
SCHEMBL1344182 1.00 RAB9A (0.65) RAB9ASMN1; SMN2GAANPC1TDP1
SCHEMBL1556407 0.89 RAB9A (0.62) RAB9ASMN1; SMN2GAANPC1TDP1
SCHEMBL1556410 0.89 RAB9A (0.62) RAB9ASMN1; SMN2GAANPC1TDP1
SCHEMBL1341698 0.85 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2GAANPC1GPR183
SCHEMBL1341697 0.85 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2GAANPC1GPR183
SCHEMBL22633478 0.80 RAB9A (0.58) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL22633477 0.80 RAB9A (0.58) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL2897130 0.80 RAB9A (0.54) RAB9ASMN1; SMN2GAANPC1TDP1
SCHEMBL2899264 0.79 RAB9A (0.52) RAB9ASMN1; SMN2GAANPC1TDP1
SCHEMBL2899267 0.79 RAB9A (0.52) RAB9ASMN1; SMN2GAANPC1TDP1

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-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 RAB9A 914/4885SMN1; SMN2 4301/4885GAA 4779/4885

“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.