Sugi Predict

Sugi Predict / Compounds / SCHEMBL10126868

SCHEMBL10126868

SCHEMBL10126868

C=CCC[C@@H]1CCN([C@@H](C)c2ccccc2)[C@@H]1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.37
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CHRM4 P08173 4/20 0.34
▸ CHRM2 P08172 3/20 0.34
▸ CHRM5 P08912 3/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ CHRM3 P20309 3/20 0.34
▸ FAAH O00519 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL12018912 1.00 OPRD1 (0.37) OPRD1RAB9ACYP3A4CYP1A2CYP2D6
SCHEMBL10126869 0.90 RAB9A (0.36) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL12018913 0.90 RAB9A (0.36) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL13624814 0.90 RAB9A (0.36) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL1357343 0.89 ALDH1A1 (0.43) OPRD1RAB9ACYP3A4CYP1A2TSHR
SCHEMBL980704 0.83 HTR1A (0.40) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL980703 0.83 HTR1A (0.40) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL947664 0.83 KDM4E (0.40) RAB9ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL1950445 0.80 MEN1 (0.40) HSD17B10MEN1ALDH1A1KMT2ACHRM4
SCHEMBL10126865 0.79 MEN1 (0.40) MEN1KMT2ACHRM4

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382905-B2 Immunomodulation by IAP inhibitors NOVARTIS AG (CH) 2022-07-12 — — US disclosed
EP-2698158-B1 Immunomodulation by IAP Inhibitors NOVARTIS AG (CH) 2021-06-30 — — EP disclosed
US-20200345714-A1 Immunomodulation by IAP Inhibitors NOVARTIS AG (CH) 2020-11-05 — — US disclosed
US-10786491-B2 Immunomodulation by IAP inhibitors NOVARTIS AG (CH) 2020-09-29 — — US disclosed
US-10329626-B2 NOL3 is a predictor of patient outcome DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-25 — — US disclosed
US-20170368047-A1 Immunomodulation by IAP Inhibitors NOVARTIS AG (CH) 2017-12-28 — — US disclosed
US-9750729-B2 Immunomodulation by IAP inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-05 — — US disclosed
US-9750729-B2 Immunomodulation by IAP inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-05 — — US disclosed
US-20170101688-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME DANA-FARBER CANCER INSTITUTE (US) 2017-04-13 — — US disclosed
US-20170101688-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME DANA-FARBER CANCER INSTITUTE (US) 2017-04-13 — — US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 — — US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 — — US disclosed
US-20110135691-A1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG 2011-06-09 — — US disclosed
US-20110135691-A1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG 2011-06-09 — — US disclosed
US-20100179163-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME DANA-FARBER CANCER INSTITUTE, INC. 2010-07-15 — — US disclosed
US-20100179163-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME DANA-FARBER CANCER INSTITUTE, INC. 2010-07-15 — — US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 — — US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 — — US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 — — US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 — — 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 (10 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 OPRD1 4204/4885RAB9A 2452/4885CYP3A4 4840/4885
US-10786491-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 OPRD1 4799/4885RAB9A 1659/4885CYP3A4 4880/4885
US-20170368047-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 OPRD1 4799/4885RAB9A 1659/4885CYP3A4 4880/4885
US-11382905-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 OPRD1 4799/4885RAB9A 1659/4885CYP3A4 4880/4885
US-20170101688-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 OPRD1 2516/4885RAB9A 3384/4885CYP3A4 3272/4885
US-20110281875-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 OPRD1 4434/4885RAB9A 2453/4885CYP3A4 4801/4885
US-20200345714-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 OPRD1 4799/4885RAB9A 1659/4885CYP3A4 4880/4885
US-10329626-B2 NOL3 is a predictor of patient outcome MORF4L1, NOS3, NOS1 OPRD1 2516/4885RAB9A 3384/4885CYP3A4 3272/4885
US-20100179163-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 OPRD1 2516/4885RAB9A 3384/4885CYP3A4 3272/4885
US-20110135691-A1 IMMUNOMODULATION BY IAP INHIBITORS BIRC2, BIRC3, BIRC5 OPRD1 4799/4885RAB9A 1659/4885CYP3A4 4880/4885

“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.