SCHEMBL22338366

SCHEMBL22338366

CCC(C#N)(CC)c1ccc(N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
ALDH1A1 P00352 9/20 0.42
TSHR P16473 4/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
APP P05067 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7535570 0.77 SLC2A1 (0.54) SLC2A1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL8445728 0.76 CCR1 (0.43) TSHRHSD17B10MAPK1MEN1KMT2A
SCHEMBL307300 0.76 KIF11 (0.48) ALDH1A1TSHRHSD17B10
SCHEMBL994398 0.76 MAPT (0.43) ALDH1A1TSHRHSD17B10MAPTMAPK1
SCHEMBL1141384 0.76 CA1 (0.34) ALDH1A1HSD17B10KMT2A
SCHEMBL10389822 0.76 ESR1 (0.54) TSHRHSD17B10CYP3A4
SCHEMBL13271382 0.75 CYP2D6 (0.44) ALDH1A1TSHRCYP3A4RAB9AEBP
SCHEMBL1756296 0.74 CASP1 (0.34) HSD17B10EBPSIGMAR1
SCHEMBL9786745 0.72 USP2 (0.35) HSD17B10KDM4EMAPK1RAB9AEBP
SCHEMBL13272036 0.71 SLC2A1 (0.52) SLC2A1ALDH1A1TSHRALOX15HSD17B10

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-20220162160-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO MILLENDO THERAPEUTICS, INC. 2022-05-26 US disclosed
US-20200255372-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO MILLENDO THERAPEUTICS INC (US) 2020-08-13 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-20220162160-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO ATR, BAP1, ATRIP SLC2A1 4192/4885ALDH1A1 1452/4885TSHR 775/4885
US-20200255372-A1 SOLID DRUG FORM OF N-(2,6-BIS(1-METHYLETHYL)PHENYL)-N'-((1-(4-(DIMETHYLAMINO)PHENYL)CYCLOPENTYL)METHYL)UREA HYDROCHLORIDE AND COMPOSITIONS, METHODS AND KITS RELATED THERETO ATR, BAP1, ATRIP SLC2A1 4192/4885ALDH1A1 1452/4885TSHR 775/4885

“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.