SCHEMBL20133675

SCHEMBL20133675

CCC(C)c1cccc2c1NC(=O)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
PDK2 Q15119 1/20 0.40
TSHR P16473 1/20 0.40
TDP2 O95551 3/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MAP3K14 Q99558 1/20 0.38
SMYD3 Q9H7B4 2/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 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
SCHEMBL2611032 0.83 AHR (0.56) AHRPDK2TSHRTDP2CASP3
SCHEMBL22856258 0.82 TDP2 (0.53) AHRPDK2TSHRTDP2CASP3
SCHEMBL26455993 0.77 AHR (0.49) AHRPDK2TDP2CASP3CASP7
SCHEMBL2078454 0.77 AHR (0.56) AHRPDK2TDP2CASP3CASP7
SCHEMBL12462776 0.75 AHR (0.58) AHRPDK2TDP2CASP3CASP7
SCHEMBL21739937 0.75 AHR (0.46) AHRPDK2TDP2CASP3CASP7
SCHEMBL10650600 0.73 AHR (0.51) AHRPDK2TDP2CASP3CASP7
SCHEMBL9956674 0.73 AHR (0.51) AHRPDK2SMYD3GRM5MEN1
SCHEMBL20354237 0.73 AHR (0.51) AHRPDK2TDP2CASP3CASP7
Hydrochloric Acid SCHEMBL32664892 0.73 AHR (0.48) AHRPDK2TDP2CASP3CASP7

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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US 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 (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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR AHR 2693/4885PDK2 334/4885TSHR 4664/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR AHR 2693/4885PDK2 334/4885TSHR 4664/4885

“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.