SCHEMBL5577631

SCHEMBL5577631

CC(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.52
SIGMAR1 Q99720 4/20 0.43
DRD4 P21917 2/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
CCR5 P51681 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 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
SCHEMBL5577466 0.91 ACHE (0.52) ACHESIGMAR1GAACCR5MEN1
SCHEMBL5577665 0.91 ACHE (0.59) ACHESIGMAR1KDM4EGAALMNA
SCHEMBL5577410 0.90 DRD4 (0.45) ACHESIGMAR1DRD4DRD2MEN1
SCHEMBL5577790 0.90 ACHE (0.56) ACHESIGMAR1KDM4EALDH1A1GAA
SCHEMBL5577478 0.89 ACHE (0.43) ACHESIGMAR1DRD4DRD2KMT2A
SCHEMBL5577412 0.89 ACHE (0.60) ACHESIGMAR1USP2MEN1KMT2A
SCHEMBL5577523 0.86 ACHE (0.56) ACHESIGMAR1KDM4EGAALMNA
SCHEMBL5577282 0.85 ACHE (0.47) ACHESIGMAR1DRD4KDM4EALDH1A1
SCHEMBL5577663 0.84 ACHE (0.49) ACHESIGMAR1KDM4EALDH1A1GAA
SCHEMBL5577258 0.84 RECQL (0.54) ACHESIGMAR1DRD4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C ACHE 1504/4885SIGMAR1 3281/4885DRD4 4092/4885

“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.