SCHEMBL1979808

SCHEMBL1979808

c1nc2ccc(N3CCOCC3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
PIM1 P11309 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1977923 0.84 MAOB (0.51) PIM1ALDH1A1HPGDCYP1A2POLB
SCHEMBL30526816 0.74 MAPT (0.56) GAAPIM1CYP1A2NPC1RAB9A
SCHEMBL15079503 0.74 MAPT (0.56) GAAPIM1CYP1A2NPC1RAB9A
SCHEMBL1981584 0.74 GAA (0.41) GAAPIM1ALDH1A1HPGDCYP1A2
SCHEMBL12557899 0.74 MAOB (0.46) GAAPIM1ALDH1A1HPGDCYP1A2
SCHEMBL21154003 0.69 KMT2A (0.51) GAAPIM1ALDH1A1HPGDCYP1A2
SCHEMBL15321805 0.69 PIK3CA (0.45) GAAPIM1ALDH1A1HPGDCYP1A2
SCHEMBL31506551 0.69 NPC1 (0.57) GAACYP2C9CYP3A4NPC1RAB9A
SCHEMBL32686155 0.68 ALDH1A1 (0.50) PIM1ALDH1A1HPGDKMT2ANPC1
SCHEMBL6843345 0.68 GAA (0.59) GAAALDH1A1HPGDCYP1A2MEN1

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-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

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-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS CCR3, CCR1, CCR4 GAA 4135/4885PIM1 2677/4885ALDH1A1 2212/4885

“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.