SCHEMBL21783607

SCHEMBL21783607

CC(C)(C)CC(c1ccccn1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
PPP1CA P62136 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNA5 P22460 3/20 0.42
KCNE1 P15382 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPK1 P28482 2/20 0.40
DPP4 P27487 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1991270 0.84 POLB (0.51) IDH1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL19368165 0.82 CHRM2 (0.47) IDH1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL16461215 0.81 DPP4 (0.56) IDH1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL11989193 0.78 CYP3A4 (0.49) LMNAKCNA5DPP4CYP3A4HIF1A
SCHEMBL21099704 0.76 POLB (0.44) IDH1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL23023801 0.74 POLB (0.43) IDH1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL16464338 0.73 L3MBTL1 (0.49) IDH1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL17846504 0.73 L3MBTL1 (0.53) SMN1; SMN2L3MBTL1HSD17B10MAPK1CYP3A4
SCHEMBL12437116 0.72 ATM (0.51) L3MBTL1LMNATP53MAPK1ALDH1A1
SCHEMBL24700213 0.71 MEN1 (0.45) IDH1POLBSMN1; SMN2LMNAHSD17B10

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-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S.L. (ES) 2020-03-05 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-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE GLB1, GBA1, GALC IDH1 484/4885POLB 276/4885SMN1; SMN2 184/4885

“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.