SCHEMBL358907

SCHEMBL358907

CCC(=O)N[C@@H]1CCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
KDM5A P29375 1/20 0.43
DRD2 P14416 1/20 0.42
SSTR4 P31391 6/20 0.41
SSTR1 P30872 4/20 0.41
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL18361889 1.00 MTNR1A (0.43) MTNR1AMTNR1BKDM5ADRD2SSTR4
SCHEMBL12162611 1.00 MTNR1A (0.43) MTNR1AMTNR1BKDM5ADRD2SSTR4
SCHEMBL12719746 0.89 SIGMAR1 (0.48) DRD2ALDH1A1SIGMAR1L3MBTL1EPHX2
SCHEMBL10265277 0.89 SIGMAR1 (0.49) MTNR1AMTNR1BDRD2ALDH1A1SIGMAR1
SCHEMBL18330360 0.88 SSTR4 (0.39) SSTR4SSTR1ALDH1A1SIGMAR1L3MBTL1
SCHEMBL15337834 0.86 SSTR4 (0.40) MTNR1AMTNR1BSSTR4SSTR1ALDH1A1
SCHEMBL15337879 0.86 SSTR4 (0.40) MTNR1AMTNR1BSSTR4SSTR1ALDH1A1
SCHEMBL10274562 0.86 MTNR1A (0.49) MTNR1AMTNR1BKDM5ADRD2SSTR4
SCHEMBL25934538 0.86 SSTR4 (0.40) MTNR1AMTNR1BSSTR4SSTR1ALDH1A1
SCHEMBL12233622 0.84 MTNR1A (0.41) MTNR1AMTNR1BKDM5ADRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20170210754-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE HOLDINGS CORPORATION (US) 2017-07-27 US disclosed
US-9624241-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2017-04-18 US disclosed
WO-2017003995-A1 TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-01-05 WO disclosed
US-9227985-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2016-01-05 US disclosed
US-20140275030-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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 (6 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-20140275030-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MTNR1A 4252/4885MTNR1B 3915/4885KDM5A 2823/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885KDM5A 4453/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885KDM5A 4453/4885
US-20170210754-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MTNR1A 4252/4885MTNR1B 3915/4885KDM5A 2823/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885KDM5A 4453/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS MTNR1A 2932/4885MTNR1B 3498/4885KDM5A 2647/4885

“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.