SCHEMBL10126864

SCHEMBL10126864

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ KDM4E B2RXH2 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 1.00 ACE (0.39) ACEHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13823126 1.00 ACE (0.39) ACEHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL23584493 1.00 ACE (0.39) ACEHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1357324 0.94 HDAC1 (0.43) ACEHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL21966074 0.84 ACE (0.34) ACEHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL14063959 0.79 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL12018877 0.79 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL14063961 0.79 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL1355665 0.79 HDAC1 (0.40) HDAC1HDAC8HDAC6CYP2D6
SCHEMBL10126853 0.79 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 31 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
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-9533980-B2 NOL3 is a predictor of patient outcome DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-03 — — 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 ACE 1927/4885HDAC1 1305/4885HDAC8 2249/4885
US-10786491-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 ACE 938/4885HDAC1 2168/4885HDAC8 1557/4885
US-20170368047-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 ACE 938/4885HDAC1 2168/4885HDAC8 1557/4885
US-11382905-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 ACE 938/4885HDAC1 2168/4885HDAC8 1557/4885
US-20170101688-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 ACE 4804/4885HDAC1 3936/4885HDAC8 3889/4885
US-20110281875-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 ACE 1824/4885HDAC1 1446/4885HDAC8 2299/4885
US-20200345714-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 ACE 938/4885HDAC1 2168/4885HDAC8 1557/4885
US-10329626-B2 NOL3 is a predictor of patient outcome MORF4L1, NOS3, NOS1 ACE 4804/4885HDAC1 3936/4885HDAC8 3889/4885
US-20100179163-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 ACE 4804/4885HDAC1 3936/4885HDAC8 3889/4885
US-20110135691-A1 IMMUNOMODULATION BY IAP INHIBITORS BIRC2, BIRC3, BIRC5 ACE 938/4885HDAC1 2168/4885HDAC8 1557/4885

“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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