SCHEMBL1357324

SCHEMBL1357324

C[C@@H](c1ccccc1)N1CC[C@H]2CCN(CCc3ccccc3)C(=O)[C@H]21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ ACE P12821 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL12018918 0.94 ACE (0.39) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL23584493 0.94 ACE (0.39) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL10126864 0.94 ACE (0.39) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL13823126 0.94 ACE (0.39) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL14063961 0.84 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL10126853 0.84 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL14063959 0.84 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL1355665 0.84 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL12018877 0.84 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL10126851 0.84 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6

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-20220296581-A1 Immunomodulation by IAP Inhibitors NOVARTIS AG (CH) 2022-09-22 — — US disclosed
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
EP-3701947-A1 IMMUNOMODULATION BY IAP INHIBITORS Novartis AG (CH) 2020-09-02 — — EP disclosed
EP-2296650-B1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG (CH) 2020-05-06 — — EP 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
EP-2296650-A1 IMMUNOMODULATION BY IAP INHIBITORS Novartis AG (CH) 2011-03-23 — — EP disclosed
EP-2253614-A1 Inhibitors of IAP Novartis AG (CH) 2010-11-24 — — EP disclosed
US-20100179163-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME DANA-FARBER CANCER INSTITUTE, INC. 2010-07-15 — — US disclosed
WO-2009140447-A1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG (CH) 2009-11-19 — — WO disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 — — EP 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
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 — — EP disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 — — US disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 — — WO 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 (9 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 HDAC1 1305/4885HDAC8 2249/4885HDAC6 2280/4885
US-20220296581-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 HDAC1 2168/4885HDAC8 1557/4885HDAC6 1895/4885
US-10786491-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 HDAC1 2168/4885HDAC8 1557/4885HDAC6 1895/4885
US-20170368047-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 HDAC1 2168/4885HDAC8 1557/4885HDAC6 1895/4885
US-11382905-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 HDAC1 2168/4885HDAC8 1557/4885HDAC6 1895/4885
US-20200345714-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 HDAC1 2168/4885HDAC8 1557/4885HDAC6 1895/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 HDAC1 877/4885HDAC8 2270/4885HDAC6 2209/4885
US-10329626-B2 NOL3 is a predictor of patient outcome MORF4L1, NOS3, NOS1 HDAC1 3936/4885HDAC8 3889/4885HDAC6 4088/4885
US-20100179163-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 HDAC1 3936/4885HDAC8 3889/4885HDAC6 4088/4885

“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.

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