SCHEMBL17713324

SCHEMBL17713324

N#CC(N)CCc1ccc(Br)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.39
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ HTR2A P28223 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ KDR P35968 1/20 0.30

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
SCHEMBL16064343 0.84 PYCR1 (0.41) PYCR1SLC6A4HTR2AKCNH2KDR
SCHEMBL17713492 0.81 PYCR1 (0.39) PYCR1
SCHEMBL17713491 0.78 DPP4 (0.40) PYCR1
SCHEMBL17713409 0.73 TAAR1 (0.47) HTR2A
SCHEMBL32689207 0.72 TAAR1 (0.52) PYCR1HTR2A
SCHEMBL1569794 0.72 TAAR1 (0.52) PYCR1HTR2A
SCHEMBL17713426 0.72 NAAA (0.36) SLC6A4
SCHEMBL2551704 0.72 PNMT (0.48) PYCR1SLC6A4HTR2AKCNH2
SCHEMBL4573857 0.71 PYCR1 (0.44) PYCR1SLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL16760260 0.71 TAAR1 (0.50) PYCR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9901571-B2 Tetrahydropyrazolopyridine derivatives as ghrelin receptor agonists RAQUALIA PHARMA INC. (JP) 2018-02-27 — — US disclosed
US-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-10-26 — — US disclosed
EP-3212648-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RaQualia Pharma Inc. (JP) 2017-09-06 — — EP disclosed
WO-2016067638-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2016-05-06 — — 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-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR PYCR1 845/4885SLC6A4 1526/4885SLC6A2 1269/4885

“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.

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