SCHEMBL4525699

SCHEMBL4525699

Ic1ccc2c(c1)CCC(CN1CCCC1)N2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.32
▸ DRD3 P35462 3/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ PNMT P11086 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ SIGMAR1 Q99720 3/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL2321696 0.84 HTR7 (0.38) DRD4DRD3PNMTDRD2
SCHEMBL6756330 0.80 HRH3 (0.40) HRH3GAA
SCHEMBL6756331 0.80 HRH3 (0.40) HRH3GAA
SCHEMBL6756327 0.80 HRH3 (0.40) HRH3GAA
SCHEMBL14760298 0.72 LMNA (0.36) DRD1DRD5HRH3DRD2SIGMAR1
SCHEMBL12440206 0.71 MCHR1 (0.37) DRD4DRD3DRD2
SCHEMBL2321700 0.69 LMNA (0.36) HRH3
SCHEMBL6754937 0.69 GAA (0.43) GAA
SCHEMBL6754938 0.69 GAA (0.43) GAA
SCHEMBL6754941 0.69 GAA (0.43) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 — — US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 — — EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 — — US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 — — US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 — — 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 DRD4 412/4885DRD3 460/4885DRD1 392/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R DRD4 281/4885DRD3 257/4885DRD1 210/4885

“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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