SCHEMBL14436612

SCHEMBL14436612

CC(=O)N1CC2CN(CCCNc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 5/20 0.45
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
AGTR1 P30556 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
FKBP1A P62942 1/20 0.39
KCNH2 Q12809 2/20 0.39
CCR2 P41597 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4692814 0.90 KCNH2 (0.44) MAPTCCR5UBE2MDCUN1D1KCNH2
SCHEMBL4691224 0.88 UBE2M (0.45) ALDH1A1MAPTRAB9AHTTL3MBTL1
SCHEMBL3281865 0.86 CCR5 (0.52) ALDH1A1MAPTHTTSMN1; SMN2GAA
SCHEMBL4690404 0.86 CCR5 (0.41) ALDH1A1MAPTRAB9AHTTL3MBTL1
SCHEMBL4695195 0.86 ALDH1A1 (0.41) ALDH1A1MAPTRAB9AHTTL3MBTL1
SCHEMBL4691024 0.86 ALDH1A1 (0.41) ALDH1A1MAPTRAB9AHTTL3MBTL1
SCHEMBL4694337 0.86 CCR5 (0.43) ALDH1A1MAPTRAB9AHTTL3MBTL1
SCHEMBL4691640 0.86 MAPT (0.54) ALDH1A1MAPTRAB9AHTTSMN1; SMN2
SCHEMBL4690668 0.86 ALDH1A1 (0.43) ALDH1A1MAPTRAB9AHTTL3MBTL1
SCHEMBL13326676 0.86 ALDH1A1 (0.41) ALDH1A1MAPTRAB9AHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 ALDH1A1 2289/4885MAPT 4306/4885RAB9A 1751/4885

“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.