SCHEMBL2644090

SCHEMBL2644090

CN(C)c1ccc(CN2C(=O)c3cccc(F)c3C2CCC(=O)Nc2ccc(C(=O)OCc3ccccc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA1H O95180 2/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
BDKRB1 P46663 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CXCR2 P25025 1/20 0.34
MLNR O43193 1/20 0.34

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
SCHEMBL2644054 0.92 TSHR (0.40) ALDH1A1MAPTHPGDKDM4ETSHR
SCHEMBL2644018 0.90 CACNA1H (0.36) ALDH1A1MAPTKDM4EGAACACNA1H
SCHEMBL2669448 0.85 CXCR2 (0.39) MAPTTSHRBDKRB1CXCR2
SCHEMBL2643419 0.84 TSHR (0.41) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL2643521 0.84 TSHR (0.41) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL2643416 0.84 TSHR (0.41) ALDH1A1MAPTKDM4ETSHRGAA
SCHEMBL15925792 0.83 HTT (0.41) MAPTKDM4ESMN1; SMN2TSHRGAA
SCHEMBL2664043 0.81 MAPT (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2TSHR
SCHEMBL15925793 0.81 HTT (0.42) SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2643590 0.81 MAPT (0.40) ALDH1A1MAPTKDM4ETSHRGAA

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-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 ALDH1A1 1552/4885MAPT 3322/4885HPGD 918/4885

“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.