SCHEMBL5042500

SCHEMBL5042500

NC(=O)c1cc(Cl)c(N)c2c1OCC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.51
HTR3A P46098 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
PARP1 P09874 2/20 0.49
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL8509459 0.89 HTR4 (0.52) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL1502018 0.88 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL14810412 0.84 HTR4 (0.59) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5042523 0.82 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5316552 0.79 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7333211 0.78 HTR4 (0.46) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL5040326 0.77 HTR4 (0.45) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL27360404 0.76 HTR4 (0.50) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL14810092 0.76 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL505954 0.76 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D

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
CN-113880866-B Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-09-27 CN disclosed
CN-113880866-A Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-01-04 CN disclosed
US-10961213-B2 Process for preparation of benzylic amides BASF SE (DE) 2021-03-30 US disclosed
WO-2018137959-A1 PROCESS FOR PREPARATION OF BENZYLIC AMIDES BASF SE (DE) 2018-08-02 WO disclosed
EP-0812321-B1 PROKINETIC OXADIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2008-01-23 EP disclosed
CN-1092656-C prokinetic oxadiazoles JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 CN disclosed
US-5854261-A Prokinetic compounds JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-29 US disclosed
CN-1177352-A Prokinetic oxadiazoles JANSSEN PHARMACEUTICA NV (BE) 1998-03-25 CN disclosed
EP-0812321-A1 PROKINETIC OXADIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1997-12-17 EP disclosed
WO-1996026937-A1 PROKINETIC OXADIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-06 WO 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 (1 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-10961213-B2 Process for preparation of benzylic amides CYP2F1, BBOX1, F12 HTR4 970/4885HTR3A 3657/4885HTR3E 4051/4885

“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.