SCHEMBL6788181

SCHEMBL6788181

CC(C)CC(c1cccs1)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
GFER P55789 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MC4R P32245 1/20 0.40

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
SCHEMBL19414179 0.84 MAPT (0.52) MAPTGAATSHRHTTALOX15
SCHEMBL2842314 0.83 MAPT (0.48) MAPTGAATSHRHTTALOX15
SCHEMBL29143540 0.73 GAA (0.50) MAPTGAATSHRHTTALOX15
SCHEMBL9918370 0.71 MC4R (0.64) MAPTTSHRHTTALDH1A1MC4R
SCHEMBL19274402 0.70 ALOX5 (0.41) MAPTTSHRALDH1A1HPGD
SCHEMBL8903906 0.69 ATM (0.54) TSHRHTTATMALDH1A1HPGD
SCHEMBL19830553 0.67 NPC1 (0.44) TSHRALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL22639910 0.67 TP53 (0.64) MAPTGAATSHRALOX15ALDH1A1
SCHEMBL22640018 0.67 TP53 (0.64) MAPTGAATSHRALOX15ALDH1A1
SCHEMBL8196150 0.66 L3MBTL1 (0.39) MAPTGAAHTTALDH1A1CYP3A4

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-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-05-17 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-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF CD4, CCR1, RORC MAPT 4771/4885GAA 4351/4885TSHR 188/4885

“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.