SCHEMBL3545168

SCHEMBL3545168

O=C(c1conc1-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 4/20 0.56
TSHR P16473 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
SLC6A7 Q99884 2/20 0.56
HTT P42858 1/20 0.54
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.51
SMO Q99835 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL13527917 0.77 KMT2A (0.54) MAPK1SMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL1776666 0.74 MAPK13 (0.49) KMT2AMEN1LMNA
SCHEMBL10724385 0.72 ALDH1A1 (1.00) USP2MAPK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL21536519 0.71 KMT2A (0.88) SMN1; SMN2TSHRKMT2AMEN1HTT
SCHEMBL25009220 0.70 ALDH1A1 (0.68) MAPK1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL8247070 0.70 SMN1; SMN2 (0.72) USP2MAPK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4700415 0.70 MAPT (0.51) USP2SMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL8597229 0.70 PTGS2 (0.49) MAPK1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6771333 0.70 MAPK13 (0.47) LMNA
SCHEMBL4699281 0.69 MAPKAPK2 (0.49) USP2ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP claimed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO claimed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US claimed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 USP2 3468/4885MAPK1 670/4885SMN1; SMN2 3710/4885

“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.