SCHEMBL5446289

SCHEMBL5446289

CCOc1ccccc1CN1CCC2(CCN(C(=O)c3ccc(SC)cc3OC)CC2)C(OC(=O)C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 5/20 0.45
USP2 O75604 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 7/20 0.42
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 1/20 0.41
GFER P55789 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR8 P51685 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
SCHEMBL5434000 0.92 GAA (0.52) GAANPC1RAB9ATSHRUSP2
Trifluoroacetic Acid SCHEMBL5446287 0.86 GAA (0.57) GAANPC1RAB9ATSHRUSP2
SCHEMBL5402137 0.85 GAA (0.60) GAANPC1RAB9ATSHRUSP2
SCHEMBL5426508 0.83 CYP2D6 (0.61) TSHRUSP2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5439866 0.83 CYP2D6 (0.53) TSHRUSP2SMN1; SMN2LMNAALDH1A1
SCHEMBL5435386 0.83 ALDH1A1 (0.47) TSHRUSP2SMN1; SMN2LMNACHRM2
SCHEMBL5435013 0.82 CYP2D6 (0.50) TSHRUSP2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5432767 0.82 TSHR (0.45) GAATSHRUSP2SMN1; SMN2CHRM2
SCHEMBL5442850 0.82 CYP2D6 (0.53) TSHRUSP2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5437760 0.82 CYP2D6 (0.49) TSHRUSP2SMN1; SMN2ALDH1A1KMT2A

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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 GAA 2459/4885NPC1 372/4885RAB9A 1738/4885

“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.