SCHEMBL21154750

SCHEMBL21154750

CN(C)CCc1cc(Cl)nc(Cl)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.38
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 4/20 0.33
ATM Q13315 1/20 0.33
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
CCNT1 O60563 1/20 0.32
FLT3 P36888 1/20 0.32
CDK9 P50750 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 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
SCHEMBL6627580 0.82 ALDH1A1 (0.40) L3MBTL1ALDH1A1GLAHTTKDM4E
SCHEMBL4068543 0.79 L3MBTL1 (0.33) L3MBTL1ALDH1A1GLAHTTKDM4E
SCHEMBL11723001 0.78 HTT (0.42) L3MBTL1ALDH1A1GLAHTTKDM4E
SCHEMBL1624060 0.78 L3MBTL1 (0.33) L3MBTL1ALDH1A1GLAHTT
SCHEMBL27348192 0.75 KHK (0.36) L3MBTL1ALDH1A1GLAHTTKDM4E
SCHEMBL25302521 0.74 FFAR1 (0.43) ALDH1A1HPGD
SCHEMBL22980966 0.72 KHK (0.34) L3MBTL1ALDH1A1GLAHTTKDM4E
SCHEMBL4193505 0.72 HTT (0.38) L3MBTL1ALDH1A1GLAHTTKDM4E
SCHEMBL9987538 0.71 L3MBTL1 (0.33) L3MBTL1ALDH1A1GLAHTTHPGD
SCHEMBL4064564 0.69 ALDH1A1 (0.40) L3MBTL1ALDH1A1KDM4EHPGD

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-20190209558-A1 COMPOUNDS FOR TREATMENT OF FIBROSIS DISEASES CUREGENIX, INC. (CN) 2019-07-11 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-20190209558-A1 COMPOUNDS FOR TREATMENT OF FIBROSIS DISEASES WNT1, SFRP1, WNT3 TAAR1 3826/4885HRH3 1283/4885L3MBTL1 3091/4885

“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.