SCHEMBL1950445

SCHEMBL1950445

COC(=O)[C@@H]1[C@H](CCNCCc2ccccc2)CCN1[C@@H](C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM4 P08173 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
TACR1 P25103 1/20 0.38
AGTR2 P50052 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR3 P51677 1/20 0.37
KCNH2 Q12809 1/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10126865 0.94 MEN1 (0.40) MEN1KMT2ACHRM4KDM4EAGTR2
SCHEMBL1358169 0.85 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12231325 0.85 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15475235 0.85 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL22368009 0.85 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12231324 0.85 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10126869 0.83 RAB9A (0.36) MEN1KMT2ACHRM4ALDH1A1MAPT
SCHEMBL13624814 0.83 RAB9A (0.36) MEN1KMT2ACHRM4ALDH1A1MAPT
SCHEMBL12018913 0.83 RAB9A (0.36) MEN1KMT2ACHRM4ALDH1A1MAPT
SCHEMBL980704 0.80 HTR1A (0.40) MEN1KMT2ACHRM4ALDH1A1MAPT

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 15 patents. 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
US-20200345714-A1 Immunomodulation by IAP Inhibitors NOVARTIS AG (CH) 2020-11-05 US disclosed
US-10329626-B2 NOL3 is a predictor of patient outcome DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-25 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-9533980-B2 NOL3 is a predictor of patient outcome DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-03 US disclosed
US-20140357684-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME DANA-FARBER CANCER INSTITUTE (US) 2014-12-04 US disclosed
US-8841067-B2 NOL3 is a predictor of patient outcome DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-09-23 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 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-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 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 MEN1 2598/4885KMT2A 4593/4885CHRM4 4879/4885
US-20220296581-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 MEN1 949/4885KMT2A 3118/4885CHRM4 4444/4885
US-20140357684-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 MEN1 1583/4885KMT2A 2131/4885CHRM4 4793/4885
US-11382905-B2 Immunomodulation by IAP inhibitors BIRC2, BIRC3, BIRC5 MEN1 949/4885KMT2A 3118/4885CHRM4 4444/4885
US-20170101688-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 MEN1 1583/4885KMT2A 2131/4885CHRM4 4793/4885
US-20200345714-A1 Immunomodulation by IAP Inhibitors BIRC2, BIRC3, BIRC5 MEN1 949/4885KMT2A 3118/4885CHRM4 4444/4885
US-10329626-B2 NOL3 is a predictor of patient outcome MORF4L1, NOS3, NOS1 MEN1 1583/4885KMT2A 2131/4885CHRM4 4793/4885
US-20100179163-A1 NOL3 IS A PREDICTOR OF PATIENT OUTCOME MORF4L1, NOS3, NOS1 MEN1 1583/4885KMT2A 2131/4885CHRM4 4793/4885
US-20110135691-A1 IMMUNOMODULATION BY IAP INHIBITORS BIRC2, BIRC3, BIRC5 MEN1 949/4885KMT2A 3118/4885CHRM4 4444/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 MEN1 2365/4885KMT2A 4431/4885CHRM4 4884/4885

“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.