SCHEMBL13416618

SCHEMBL13416618

CC(C)[C@@H]1CCCN1Cc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PNMT P11086 1/20 0.43

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
SCHEMBL13416615 0.85
SCHEMBL15723668 0.85
SCHEMBL13416620 0.84 ALDH1A1 (0.43) KDM4EALDH1A1GAASPHK2SPHK1
SCHEMBL27010141 0.81
SCHEMBL24682861 0.77 HRH3 (0.50) KDM4EALDH1A1
SCHEMBL14472941 0.77 ALDH1A1 (0.59) KDM4EALDH1A1SPHK1
SCHEMBL6855722 0.76 SIGMAR1 (0.51) SIGMAR1
SCHEMBL26971168 0.75 KDM4E (0.58) KDM4EALDH1A1GAAHTTTSHR
SCHEMBL8682776 0.74 KDM4E (0.57) KDM4EALDH1A1GAAHTTTSHR
SCHEMBL2030130 0.74 NPBWR1 (0.53) KDM4ESIGMAR1SPHK1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 KDM4E 1970/4885ALDH1A1 147/4885GAA 3224/4885

“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.