SCHEMBL20129643

SCHEMBL20129643

COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 2/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
MMP9 P14780 3/20 0.48
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 1/20 0.48
MMP13 P45452 1/20 0.48
KLK7 P49862 1/20 0.47
FKBP1A P62942 1/20 0.47
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL13681760 1.00 PARP1 (0.55) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2820733 1.00 PARP1 (0.55) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6487540 0.96 PDK1 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL15298945 0.96 PDK1 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1288345 0.96 PDK1 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL21809245 0.94 PARP1 (0.51) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30289174 0.93 PARP1 (0.57) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL15606326 0.93 PARP1 (0.57) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL8487526 0.91 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTPDK1
SCHEMBL6335353 0.90 PARP1 (0.54) PARP1SMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-20210017178-A1 Pan-Tropic Entry nhibitors UNIV EMORY (US) 2021-01-21 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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 (7 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-11649235-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 PARP1 630/4885SMN1; SMN2 2765/4885NPC1 134/4885
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR PARP1 718/4885SMN1; SMN2 3158/4885NPC1 1719/4885
US-20210017178-A1 Pan-Tropic Entry nhibitors CXCR4, CXCL12, CCR5 PARP1 473/4885SMN1; SMN2 2390/4885NPC1 166/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR PARP1 718/4885SMN1; SMN2 3158/4885NPC1 1719/4885
US-20230271961-A1 Pan-Tropic Entry Inhibitors CXCR4, CCR5, CXCL12 PARP1 555/4885SMN1; SMN2 2404/4885NPC1 192/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PARP1 718/4885SMN1; SMN2 3158/4885NPC1 1719/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PARP1 718/4885SMN1; SMN2 3158/4885NPC1 1719/4885

“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.