SCHEMBL1977178

SCHEMBL1977178

[c]1nc2ccc(N3CCCCC3)nc2s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.54
MAP4K4 O95819 1/20 0.43
PIM1 P11309 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1976579 0.98 MAOB (0.52) MAOBMAP4K4PIM1ALDH1A1MAPT
SCHEMBL1981584 0.84 GAA (0.41) MAOBPIM1ALDH1A1MAPTMAPK1
SCHEMBL1976842 0.75 ALDH1A1 (0.45) ALDH1A1MAPK1TDP1KDM4EGAA
SCHEMBL1977923 0.72 MAOB (0.51) MAOBMAP4K4PIM1ALDH1A1MAPT
SCHEMBL12557889 0.71 MAOB (0.61) MAOBMAP4K4PIM1ALDH1A1KDM4E
SCHEMBL9774731 0.71 MAOB (0.61) MAOBMAP4K4PIM1ALDH1A1MAPT
SCHEMBL14693864 0.70 MAOB (1.00) MAOBALDH1A1MAPTKDM4EGAA
SCHEMBL14693727 0.70 MAOB (1.00) MAOBALDH1A1MAPTKDM4EGAA
SCHEMBL12557884 0.69 MAOB (0.60) MAOBMAP4K4PIM1ALDH1A1MAPT
SCHEMBL14693975 0.68 MAOB (1.00) MAOBALDH1A1MAPTTDP1KDM4E

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
EP-2318402-B1 Pyrrolidinyl-alkyl-amide derivatives their preparation and their therapeutic application as CCR3 receptor ligands SANOFI SA (FR) 2014-04-30 EP disclosed
US-8420636-B2 Pyrrolidinyl-alkyl-amide derivatives, their preparation, and their therapeutic application as CCR3 receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 MAOB 4722/4885MAP4K4 3129/4885PIM1 3833/4885
US-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS CCR3, CCR1, CCR4 MAOB 4591/4885MAP4K4 2543/4885PIM1 2677/4885

“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.