SCHEMBL20133582

SCHEMBL20133582

CCCN(CCC)c1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PLK1 P53350 1/20 0.34
CRHR1 P34998 1/20 0.34
ALDH3A1 P30838 2/20 0.33
ALDH1A3 P47895 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNN4 O15554 1/20 0.33
KCNA5 P22460 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
SCHEMBL20157017 0.93 TSHR (0.40) TSHRMAPTSMN1; SMN2ARALDH1A1
SCHEMBL8746679 0.89 TSHR (0.42) TSHRMAPTSMN1; SMN2ARALDH1A1
SCHEMBL8773387 0.86 HDAC6 (0.41) TSHRALDH1A1HDAC6NPC1RAB9A
SCHEMBL8746684 0.86 HDAC6 (0.41) TSHRALDH1A1HDAC6NPC1RAB9A
SCHEMBL2560142 0.84 TSHR (0.45) TSHRMAPTALDH1A1HTTHDAC6
SCHEMBL1344312 0.81 ALDH1A1 (0.41) TSHRMAPTALDH1A1HTTHDAC6
SCHEMBL8538280 0.81 TSHR (0.38) TSHRMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL20149791 0.81 CRHR1 (0.34) ALDH1A1CRHR1ALDH3A1ALDH1A3
SCHEMBL5167326 0.81 HTR1A (0.37) ALDH1A1CRHR1ALDH3A1ALDH1A3
SCHEMBL11160454 0.79 TSHR (0.37) TSHRMAPTALDH1A1HTTHDAC6

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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR TSHR 4664/4885MAPT 1388/4885SMN1; SMN2 3158/4885

“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.