SCHEMBL4591014

SCHEMBL4591014

CN(C)C(=O)C1CCN(Cc2ccc(N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ SIGMAR1 Q99720 1/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ ACKR3 P25106 2/20 0.48
▸ MLNR O43193 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL4591727 0.86 KDM4E (0.70) LTA4HKDM4EALDH1A1SIGMAR1CYP2D6
SCHEMBL2925566 0.82 SIGMAR1 (0.60) LTA4HKDM4EALDH1A1SIGMAR1LMNA
SCHEMBL16582078 0.82 ALDH1A1 (0.64) LTA4HKDM4EALDH1A1SIGMAR1LMNA
Dimethylformamide SCHEMBL27717638 0.81 KDM4E (0.54) LTA4HKDM4EALDH1A1SIGMAR1LMNA
SCHEMBL7851403 0.80 KDM4E (0.60) KDM4EALDH1A1SIGMAR1LMNA
SCHEMBL3156422 0.78 KDM4E (0.73) KDM4EALDH1A1POLBGAA
SCHEMBL3280264 0.78 GFER (0.51) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL4260843 0.77 LMNA (0.57) LTA4HKDM4EALDH1A1SIGMAR1LMNA
Sulfuric Acid SCHEMBL11839101 0.77 SIGMAR1 (0.55) LTA4HKDM4EALDH1A1SIGMAR1LMNA
SCHEMBL12009956 0.77 KDM4E (0.64) LTA4HKDM4EALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 — — EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 — — US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 — — 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 LTA4H 1868/4885KDM4E 1313/4885ALDH1A1 3960/4885

“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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