SCHEMBL14213338

SCHEMBL14213338

CC(C)c1ccsc1CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CYP2A13 Q16696 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CXCR4 P61073 1/20 0.39
KCNH2 Q12809 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
SCHEMBL10725828 0.79 HTT (0.53) HTTMEN1KMT2AHRH3CYP2A13
SCHEMBL5256185 0.77 HTT (0.54) MAPTHTTMEN1KMT2AHRH3
SCHEMBL14080631 0.76 HTT (0.50) HTTMEN1KMT2AHRH3CYP2A13
SCHEMBL14235132 0.76 HTT (0.50) HTTMEN1KMT2AHRH3CYP2A13
SCHEMBL5253784 0.76 HTT (0.53) HTTMEN1KMT2AHRH3CYP2A13
SCHEMBL16182099 0.76 HTT (0.53) HTTMEN1KMT2AHRH3CYP2A13
SCHEMBL14213300 0.75 HTT (0.49) HTTMEN1KMT2AHRH3CYP2A13
SCHEMBL4111089 0.71 CYP2A13 (0.63) MAPTMEN1KMT2ACYP2A13ALDH1A1
SCHEMBL5108673 0.70 GABRA1 (0.43) ALDH1A1
SCHEMBL14132172 0.70 HTT (0.46) HTTMEN1KMT2AHRH3CYP2A13

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-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF ILDONG PHARM CO., LTD. (KR) 2012-12-06 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-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF CYP3A5, UGT2B7, UGT1A7 MAPT 64/4885HTT 1176/4885MEN1 241/4885

“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.