SCHEMBL22601593

SCHEMBL22601593

CC1CN(c2ccc(C(C)(C)C)nc2)CC(C)O1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
RAB9A P51151 2/20 0.59
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CDK6 Q00534 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 2/20 0.39
WNT3A P56704 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL19012399 1.00 MAPT (0.59) MAPTRAB9ACDK4CCND1CDK6
SCHEMBL22601570 0.84 MAPT (0.43) MAPTRAB9ACDK4CCND1CDK6
SCHEMBL22601466 0.83 MAPT (0.42) MAPTRAB9ACHRNB4CHRNA3CYP3A4
SCHEMBL19001128 0.83 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL19001068 0.83 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20414145 0.81 CHRNB4 (0.43) MAPTRAB9ACDK4CCND1CDK6
SCHEMBL20414144 0.81 MAPT (0.40) MAPTRAB9ACDK4CCND1CHRNB4
SCHEMBL19012901 0.79 MAPT (0.41) MAPTRAB9AKMT2AWNT3AALDH1A1
SCHEMBL24156931 0.79 MAPT (0.60) MAPTRAB9ACDK4CCND1CDK6
SCHEMBL12697195 0.79 MAPT (0.60) MAPTRAB9ACDK4CCND1CDK6

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 1 patent. 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

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 MAPT 539/4885RAB9A 2977/4885CDK4 1343/4885

“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.