SCHEMBL20133877

SCHEMBL20133877

C[C@@H]1CN(c2ccccc2C#N)CC[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.44
ADAM17 P78536 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 5/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 4/20 0.38
GRM5 P41594 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP3A4 P08684 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
SCHEMBL20129656 1.00 GRM1 (0.44) GRM1ADAM17KDM4EALDH1A1DPP4
SCHEMBL20129683 0.83 DPP4 (0.47) GRM1KDM4EALDH1A1DPP4MEN1
SCHEMBL12835705 0.83 DPP4 (0.47) GRM1KDM4EALDH1A1DPP4MEN1
Hydrochloric Acid SCHEMBL1514528 0.81 DPP4 (0.47) GRM1KDM4EALDH1A1DPP4MEN1
Hydrochloric Acid SCHEMBL1514285 0.81 DPP4 (0.47) GRM1KDM4EALDH1A1DPP4MEN1
SCHEMBL13176022 0.78 MEN1 (0.59) GRM1KDM4EALDH1A1MEN1USP2
SCHEMBL2261269 0.78 KDM4E (0.47) KDM4EALDH1A1DPP4MEN1USP2
SCHEMBL23708107 0.75 AR (0.55) GRM1KDM4EALDH1A1ARGRM5
SCHEMBL23708047 0.75 AR (0.55) GRM1KDM4EALDH1A1ARGRM5
SCHEMBL23702949 0.75 AR (0.55) GRM1KDM4EALDH1A1ARGRM5

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
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
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 GRM1 1701/4885ADAM17 3606/4885KDM4E 253/4885

“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.