SCHEMBL17618011

SCHEMBL17618011

C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ACHE P22303 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
BRD4 O60885 2/20 0.39
FUCA1 P04066 2/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL20962700 0.81 CHRM2 (0.49) ALDH1A1CHRM2CHRM4CHRM5ACHE
SCHEMBL3165425 0.80 MC4R (0.48) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL3165429 0.80 MC4R (0.48) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL13551806 0.79 HRH2 (0.48) MAPTALDH1A1ACHEPDK1PDK2
SCHEMBL18701025 0.79 ACHE (0.49) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL20797832 0.77 CHRM2 (0.55) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL20811168 0.77 CHRM2 (0.55) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL11144165 0.77 ACHE (0.55) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL10077401 0.77 ACHE (0.55) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL18436885 0.77 OPRM1 (0.51) MAPTCHRM2CHRM4CHRM5ACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 MAPT 92/4885ALDH1A1 1381/4885CHRM2 3441/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 MAPT 92/4885ALDH1A1 1381/4885CHRM2 3441/4885

“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.