SCHEMBL1380445

SCHEMBL1380445

O=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2cccc(CO)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
SCD O00767 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR3 P29371 1/20 0.40

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
SCHEMBL5761581 0.86 MGLL (0.47) MGLLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1382078 0.86 TAAR1 (0.56) TAAR1MGLLALDH1A1SMN1; SMN2MAPT
SCHEMBL1384337 0.85 MGLL (0.47) MGLLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5758459 0.85 MGLL (0.47) MGLLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1384319 0.84 TAAR1 (0.55) TAAR1MGLLALDH1A1LMNAKMT2A
SCHEMBL6501734 0.83 MGLL (0.45) MGLLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1381656 0.81 TAAR1 (0.57) TAAR1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1381909 0.79 GFER (0.54) MGLLMAPTLMNAKMT2AMEN1
SCHEMBL1383740 0.74 ALDH1A1 (0.46) MGLLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1382383 0.74 ALDH1A1 (0.48) MGLLALDH1A1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805813-B2 2011-11-02 JP claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 WO claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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 (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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC TAAR1 2146/4885MGLL 3492/4885ALDH1A1 240/4885

“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.