SCHEMBL3871383

SCHEMBL3871383

N=C(N)Nc1cc(Cl)ccc1OCC(=O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
CXCR6 O00574 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MCHR1 Q99705 1/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CCR1 P32246 2/20 0.41
FPR3 P25089 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ATF4 P18848 1/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 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
SCHEMBL3871382 1.00 NPC1 (0.46) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL4669557 0.97 CCR1 (0.45) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL4669555 0.97 CCR1 (0.45) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL3869170 0.93 CCR1 (0.48) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL3869168 0.93 CCR1 (0.48) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL3869555 0.93 CCR1 (0.48) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL3871025 0.90 NPC1 (0.47) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL3871023 0.90 NPC1 (0.47) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL3873917 0.89 KMT2A (0.51) NPC1CXCR6SMN1; SMN2HPGDLMNA
SCHEMBL3873920 0.89 KMT2A (0.51) NPC1CXCR6SMN1; SMN2HPGDLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP claimed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US claimed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 NPC1 279/4885CXCR6 23/4885SMN1; SMN2 2591/4885

“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.