SCHEMBL13030865

SCHEMBL13030865

CCC(=O)NC(C)(C)CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC4 P56524 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL13036136 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HDAC4ATMTDP1
SCHEMBL12932413 0.81 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HDAC4ATMTDP1
SCHEMBL9913291 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HDAC4ATMTDP1
SCHEMBL13115976 0.76 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HDAC4ATMTDP1
SCHEMBL24926263 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1HTTMEN1
SCHEMBL13975161 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1HTTMEN1
SCHEMBL10312398 0.71 HPGD (0.52) ALDH1A1MAPTMEN1KMT2A
SCHEMBL17373911 0.70 POLB (0.58) ALDH1A1HDAC4ATMHTTMEN1
SCHEMBL13211851 0.69 HDAC4 (0.58) ALDH1A1SMN1; SMN2HDAC4TDP1HTT
SCHEMBL4508029 0.69 POLB (0.56) ALDH1A1SMN1; SMN2HDAC4ATMTSHR

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-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 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 (2 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-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 ALDH1A1 1777/4885SMN1; SMN2 4503/4885HDAC4 2409/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 ALDH1A1 1777/4885SMN1; SMN2 4503/4885HDAC4 2409/4885

“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.