SCHEMBL19397170

SCHEMBL19397170

COc1cc(N)c(Cl)cc1C(=O)NCC1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.79
DRD2 P14416 3/20 0.66
HTR3E A5X5Y0 1/20 0.66
HTR3B O95264 1/20 0.66
HTR3A P46098 1/20 0.66
HTR3D Q70Z44 1/20 0.66
HTR3C Q8WXA8 1/20 0.66
ACHE P22303 2/20 0.63
DRD4 P21917 2/20 0.63
DRD3 P35462 2/20 0.63

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
SCHEMBL17709611 0.91 HTR4 (0.79) HTR4DRD2ACHEDRD4DRD3
SCHEMBL725669 0.88 HTR4 (1.00) HTR4DRD2HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7035321 0.87 HTR4 (0.98) HTR4DRD2HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL726793 0.87 HTR4 (0.98) HTR4DRD2HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7388264 0.86 HTR4 (0.73) HTR4DRD2HTR3EHTR3BHTR3A
SCHEMBL14827434 0.85 HTR4 (0.72) HTR4DRD2HTR3EHTR3BHTR3A
SCHEMBL14827422 0.85 HTR4 (0.75) HTR4DRD2DRD4DRD3
SCHEMBL16403692 0.85 HTR4 (0.72) HTR4DRD2HTR3EHTR3BHTR3A
SCHEMBL7390082 0.85 HTR4 (0.70) HTR4
SCHEMBL2601853 0.85 HTR4 (0.70) HTR4DRD2HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2017-09-28 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 (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-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885HTR3E 1512/4885

“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.