SCHEMBL22601459

SCHEMBL22601459

CC(C)(C)c1ccc(N2CCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CHRNB2 P17787 5/20 0.44
CHRNA4 P43681 5/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DHFR P00374 1/20 0.41
HSD11B1 P28845 1/20 0.41
CHKA P35790 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
BRS3 P32247 1/20 0.38
TERT O14746 1/20 0.38

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
SCHEMBL16256660 0.98 MAPT (0.53) MAPTCHRNB2CHRNA4LMNAMAPK1
SCHEMBL20249236 0.86 CHRNB2 (0.62) CHRNB2CHRNA4
SCHEMBL20085931 0.86 MAPT (0.46) MAPTSMN1; SMN2DHFRHSD11B1ALDH1A1
SCHEMBL24540313 0.84 DHFR (0.42) MAPTCHRNB2CHRNA4DHFRHSD11B1
SCHEMBL14008911 0.84 POLB (0.55) MAPTLMNAMAPK1HTTSMN1; SMN2
SCHEMBL12145921 0.84 CHRNB2 (0.58) CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL20249226 0.83 MAPT (0.45) MAPTDHFRHSD11B1HRH3
SCHEMBL20249098 0.82 MAPT (0.46) MAPTDHFRHSD11B1HRH3
SCHEMBL20255191 0.82 HRH4 (0.43) MAPTDHFRHSD11B1HRH3
SCHEMBL20224118 0.82 GAA (0.50) MAPTSMN1; SMN2DHFRHSD11B1ALDH1A1

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK MAPT 3187/4885CHRNB2 94/4885CHRNA4 76/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 MAPT 539/4885CHRNB2 4484/4885CHRNA4 4824/4885

“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.