SCHEMBL979985

SCHEMBL979985

CS(=O)(=O)N1CC=C(c2ccc(Br)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.46
TDO2 P48775 1/20 0.43
GPR119 Q8TDV5 8/20 0.42
CDK9 P50750 9/20 0.41
CCNT1 O60563 8/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31327350 0.88 PRMT5 (0.43) WNT3AGPR119KDM4EMEN1THRB
SCHEMBL27866857 0.85 WNT3A (0.47) WNT3ATDO2GPR119CDK9CCNT1
SCHEMBL979389 0.84 WNT3A (0.48) WNT3ATDO2GPR119CDK9CCNT1
SCHEMBL10068061 0.81 WNT3A (0.44) WNT3ATDO2GPR119CDK9CCNT1
SCHEMBL979744 0.80 THRB (0.49) TDO2CDK9CCNT1KDM4EMEN1
SCHEMBL20160629 0.79 SLC6A4 (0.46) WNT3A
SCHEMBL14890550 0.78 TDO2 (0.51) TDO2CDK9CCNT1
SCHEMBL13490631 0.76 NAMPT (0.34)
SCHEMBL23210852 0.74 NAMPT (0.46) KDM4EMEN1KMT2A
SCHEMBL18372250 0.73 NAMPT (0.33) WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8207344-B2 GPR119 agonists ELI LILLY AND COMPANY (US) 2012-06-26 US disclosed
US-20110015199-A1 GPR119 Agonists ELI LILLY AND COMPANY (US) 2011-01-20 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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 (3 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 WNT3A 4254/4885TDO2 661/4885GPR119 1549/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 WNT3A 4136/4885TDO2 642/4885GPR119 1240/4885
US-20110015199-A1 GPR119 Agonists GPR119, GLP1R, GCGR WNT3A 1341/4885TDO2 2500/4885GPR119 1/4885

“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.