SCHEMBL171555

SCHEMBL171555

NC(=O)c1ccc(C2=CCNCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
WNT3A P56704 1/20 0.42
HPGDS O60760 1/20 0.42
QDPR P09417 1/20 0.41
SCN9A Q15858 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
HTR2C P28335 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
P4HA1 P13674 1/20 0.38
P4HTM Q9NXG6 1/20 0.38

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
SCHEMBL171560 0.87 P4HA1 (0.54) WNT3AQDPRSIGMAR1HTR2CHRH3
SCHEMBL31701883 0.82 WNT3A (0.42) WNT3AQDPRSIGMAR1HTR2CCCNT1
SCHEMBL22047337 0.82 SPR (0.47) WNT3AHPGDSQDPRCCNT1CDK9
SCHEMBL5603681 0.79 QDPR (0.61) QDPRSCN9ASIGMAR1HTR2C
SCHEMBL21454739 0.78 WNT3A (0.41) WNT3AQDPRSCN9ASIGMAR1HTR2C
SCHEMBL5225955 0.77 HDAC1 (0.51)
SCHEMBL29936063 0.77 SIGMAR1 (0.44) WNT3AQDPRSIGMAR1HTR2CHRH3
SCHEMBL10068060 0.77 QDPR (0.59) WNT3AQDPRSIGMAR1HTR2CHRH3
SCHEMBL171525 0.77 SIGMAR1 (0.44) WNT3AQDPRSIGMAR1HTR2CHRH3
Hydrochloric Acid SCHEMBL5223257 0.76 HDAC1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
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
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 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-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 (2 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 NNMT 2603/4885SMN1; SMN2 4714/4885WNT3A 4254/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 NNMT 2752/4885SMN1; SMN2 4779/4885WNT3A 4136/4885

“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.