SCHEMBL2319084

SCHEMBL2319084

Fc1cc(OCCN2CCCC2)ccc1I

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.60
▸ ESR1 P03372 2/20 0.55
▸ ESR2 Q92731 2/20 0.55
▸ PSMB1 P20618 1/20 0.53
▸ PSMB5 P28074 1/20 0.53
▸ PSMB2 P49721 1/20 0.53
▸ HRH3 Q9Y5N1 2/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2687777 0.82 LTA4H (0.60) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL12260624 0.81 ESR1 (0.59) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL18763475 0.80 HRH3 (0.59) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL19309962 0.79 KDM4E (0.66) LTA4HESR1ESR2HRH3KDM4E
SCHEMBL12419399 0.78 ESR1 (0.57) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL4517043 0.77 PSMB1 (0.67) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL19309965 0.77 MEN1 (0.57) LTA4HHRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4724461 0.76 KDM4E (0.65) LTA4HESR1ESR2HRH3KDM4E
SCHEMBL1778223 0.76 PSMB1 (0.70) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL4708977 0.76 PSMB1 (0.70) LTA4HESR1ESR2PSMB1PSMB5

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 8 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
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 — — 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
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 — — EP 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
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 — — 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 (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 LTA4H 2076/4885ESR1 1258/4885ESR2 533/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R LTA4H 2552/4885ESR1 1730/4885ESR2 585/4885

“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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