SCHEMBL20133837

SCHEMBL20133837

COc1cccc(N2CCC(Nc3cc(C(=O)O)c(C)cc3C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
NPY5R Q15761 1/20 0.46
KMT2A Q03164 6/20 0.45
GAA P10253 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NOTUM Q6P988 1/20 0.45
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM4 P08173 1/20 0.42
GFER P55789 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL20141134 0.92 MTNR1A (0.49) MTNR1AMTNR1BNPY5RKMT2AGAA
SCHEMBL20141082 0.88 MTOR (0.45) NPY5RKMT2AMEN1MAPTALDH1A1
SCHEMBL20133698 0.87 ALDH1A1 (0.50) NPY5RKMT2ANOTUMMEN1MAPT
SCHEMBL20133680 0.83 NOTUM (0.51) NPY5RNOTUMCHRM4RPS6KB1
SCHEMBL20141600 0.82 MAPT (0.49) KMT2AGAAMEN1MAPTALDH1A1
SCHEMBL20133697 0.81 KDM4E (0.52) NPY5RKMT2AGAANOTUMMEN1
SCHEMBL20129686 0.81 MTOR (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL20141021 0.79 MTNR1A (0.62) MTNR1AMTNR1BNPY5RKMT2AFFAR4
SCHEMBL20149785 0.79 MTOR (0.49) KMT2AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL20133663 0.79 MTOR (0.53) KMT2AGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
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 (4 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR MTNR1A 4601/4885MTNR1B 4385/4885NPY5R 2910/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR MTNR1A 4601/4885MTNR1B 4385/4885NPY5R 2910/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR MTNR1A 4601/4885MTNR1B 4385/4885NPY5R 2910/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR MTNR1A 4601/4885MTNR1B 4385/4885NPY5R 2910/4885

“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.