SCHEMBL4306487

SCHEMBL4306487

N#CCN1CCC(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
F10 P00742 7/20 0.39
ACKR3 P25106 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
STK33 Q9BYT3 1/20 0.36
RPS6KA2 Q15349 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4310810 0.92 ACHE (0.58) ACHEF10ACKR3
SCHEMBL5783190 0.86 ACHE (0.40) ACHEF10ACKR3ALDH1A1SMN1; SMN2
SCHEMBL6402770 0.86 ACHE (0.40) ACHEF10ACKR3ALDH1A1SMN1; SMN2
SCHEMBL6401407 0.86 ACHE (0.40) ACHEF10ALDH1A1SMN1; SMN2HPGD
SCHEMBL5783198 0.86 ACHE (0.40) ACHEF10ACKR3ALDH1A1SMN1; SMN2
SCHEMBL5784224 0.86 ACHE (0.40) ACHEF10ALDH1A1SMN1; SMN2HPGD
SCHEMBL4305880 0.86 ACHE (0.41) ACHEF10ACKR3ALDH1A1SMN1; SMN2
SCHEMBL4311995 0.84 ACHE (0.43) ACHEF10ALDH1A1SMN1; SMN2HPGD
SCHEMBL5784441 0.84 ACHE (0.43) ACHEF10ACKR3ALDH1A1SMN1; SMN2
SCHEMBL6404923 0.84 ACHE (0.43) ACHEF10ACKR3ALDH1A1SMN1; SMN2

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
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 ACHE 1206/4885F10 19/4885ACKR3 1721/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ACHE 1270/4885F10 14/4885ACKR3 1701/4885

“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.