SCHEMBL22601430

SCHEMBL22601430

C[C@@H]1CCCCN1C(=O)c1ccnc(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.53
HSD17B10 Q99714 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
GRM5 P41594 3/20 0.46
POLB P06746 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
SCHEMBL22601443 1.00 HPGD (0.59) HPGDGAASMN1; SMN2HTTALDH1A1
SCHEMBL22601545 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HTTALDH1A1TSHRLMNA
SCHEMBL22601541 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HTTALDH1A1TSHRLMNA
SCHEMBL30009291 0.83 HPGD (0.64) HPGDGAASMN1; SMN2HTTALDH1A1
SCHEMBL14868382 0.81 SMN1; SMN2 (0.71) HPGDSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL22601442 0.80 GAA (0.59) HPGDGAAHTTALDH1A1TSHR
SCHEMBL17207185 0.80 SMN1; SMN2 (0.69) HPGDSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL22601453 0.80 SMN1; SMN2 (0.69) HPGDSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL21212469 0.79 GAA (0.57) HPGDGAAHTTALDH1A1LMNA
SCHEMBL34462903 0.78 GAA (0.56) HPGDGAAHTTLMNACA12

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 HPGD 2135/4885GAA 40/4885SMN1; SMN2 20/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 HPGD 1722/4885GAA 3024/4885SMN1; SMN2 3406/4885

“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.