SCHEMBL21164677

SCHEMBL21164677

Cc1ccc(C)c(N2CCN(CC(C)C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.49
DRD4 P21917 3/20 0.48
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
IGF1R P08069 1/20 0.48
MAPT P10636 2/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL29342004 0.82 MEN1 (0.64) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL18181904 0.81 TSHR (0.63) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL25815331 0.81 MAPT (0.48) TSHRHTTALDH1A1KMT2ATP53
SCHEMBL19009086 0.78 MEN1 (0.53) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL18177816 0.77 ALDH1A1 (0.58) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL8370595 0.77 MEN1 (0.62) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL3551183 0.76 ALDH1A1 (0.61) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL13292998 0.75 MEN1 (0.57) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL2650203 0.75 MEN1 (0.71) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL7597607 0.75 MEN1 (0.67) TSHRHTTALDH1A1MEN1KMT2A

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-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 TSHR 4486/4885HTT 3738/4885ALDH1A1 1121/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 TSHR 4486/4885HTT 3738/4885ALDH1A1 1121/4885

“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.