SCHEMBL5228069

SCHEMBL5228069

N[C@@H]1CCCN(c2ccc(Br)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.41
▸ PBK Q96KB5 1/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL5230310 1.00 DOT1L (0.41) DOT1LPBKMAP4K4HRH4DPP4
SCHEMBL6366244 1.00 DOT1L (0.41) DOT1LPBKMAP4K4HRH4DPP4
SCHEMBL21460260 0.89 NAMPT (0.46) HRH4SLC6A2SLC6A4NAMPTHRH3
SCHEMBL22581799 0.82 NOTUM (0.49) DOT1LPBKHRH4DPP4PIM1
SCHEMBL22581822 0.82 NOTUM (0.49) DOT1LPBKMAP4K4DPP4
SCHEMBL16544563 0.82 NOTUM (0.49) DOT1LPBKMAP4K4DPP4
SCHEMBL16434664 0.82 NOTUM (0.49) DOT1LPBKMAP4K4DPP4
SCHEMBL12073215 0.81 NOTUM (0.47) DOT1LPBKMAP4K4DPP4PIM1
SCHEMBL2657503 0.81 NOTUM (0.47) DOT1LPBKMAP4K4DPP4PIM1
Bromide SCHEMBL25307775 0.81 DPP4 (0.43) DOT1LPBKMAP4K4HRH4DPP4

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
CN-108368046-A Piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor agonists 百时美施贵宝公司 2018-08-03 — — CN disclosed
EP-1737824-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-03 — — EP disclosed
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — US disclosed
WO-2005103032-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — 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-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 DOT1L 1516/4885PBK 4650/4885MAP4K4 3550/4885

“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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