SCHEMBL2823210

SCHEMBL2823210

CCCCc1cnc(C)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL15004557 0.92 CCNE1 (0.43) FDPSCCNE1CDK2CDK5SLC6A3
SCHEMBL12844168 0.87
SCHEMBL18673935 0.84 SLC6A3 (0.43) FDPSSLC6A3HCAR2ALDH1A1MEN1
SCHEMBL11561896 0.82 POLB (0.39) FDPSCCNE1CDK2CDK5SLC6A3
SCHEMBL11561789 0.82 SLC6A3 (0.37) FDPSSLC6A3HCAR2HRH3ALDH1A1
SCHEMBL2090265 0.82 SLC6A3 (0.37) FDPSSLC6A3HCAR2ALDH1A1MEN1
SCHEMBL34463069 0.81
SCHEMBL2096690 0.80 SLC6A3 (0.36) FDPSCCNE1CDK2CDK5SLC6A3
SCHEMBL14045404 0.79 FDPS (0.50) FDPSCCNE1CDK2CDK5SLC6A3
SCHEMBL2089954 0.79 SLC6A3 (0.36) FDPSCCNE1CDK2CDK5SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480247-B1 NOVEL NPR-B AGONISTS SHIRE ORPHAN THERAPIES GMBH (DE) 2020-02-12 EP disclosed
US-9822147-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-11-21 US disclosed
US-20170313743-A1 NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-02 US disclosed
US-9745344-B2 NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-08-29 US disclosed
US-20160194357-A1 Novel NPR-B Agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-07 US disclosed
US-9187525-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2015-11-17 US disclosed
US-9169293-B2 NPR-B agonists Shire Orphan Thereapies GmbH (DE) 2015-10-27 US disclosed
US-8551938-B2 NPR-B agonists ALCON RESEARCH, LTD. (US) 2013-10-08 US disclosed
US-8546523-B2 NPR-B agonists ALCON RESEARCH, LTD. (US) 2013-10-01 US disclosed
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 US disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 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 (4 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-20170313743-A1 NPR-B Agonists NPR1, NPR3, NPBWR1 FDPS 2539/4885CCNE1 4728/4885CDK2 4353/4885
US-20160194357-A1 Novel NPR-B Agonists NPR1, NPR3, NPBWR1 FDPS 3001/4885CCNE1 4696/4885CDK2 4325/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C FDPS 3957/4885CCNE1 3248/4885CDK2 1805/4885
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 FDPS 1669/4885CCNE1 3326/4885CDK2 2073/4885

“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.