SCHEMBL21138240

SCHEMBL21138240

CC1(C)CCCC(C(=O)NNc2nccnc2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 2/20 0.33
ALOX15 P16050 1/20 0.31
SCD O00767 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL21138865 0.86 GAA (0.41) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL21138242 0.85 GAA (0.40) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL21138871 0.84 GAA (0.54) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL21138231 0.83 GAA (0.53) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL19917032 0.82 MAPT (0.52) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL21138795 0.80 ALDH1A1 (0.33) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL21057527 0.79 GAA (0.38) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21057432 0.79 GAA (0.43) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL21057430 0.79 GAA (0.43) GAAALDH1A1RAB9ATP53HPGD
SCHEMBL21138522 0.77 GAA (0.38) GAAALDH1A1RAB9AHPGDPOLB

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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 (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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A GAA 1662/4885ALDH1A1 1644/4885RAB9A 1086/4885

“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.