SCHEMBL3060418

SCHEMBL3060418

O=C(Nc1ccc(Oc2cccc3c2CCN3CC(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.36
HTR2B P41595 6/20 0.36
HTR2A P28223 5/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNE1 P15382 2/20 0.33
KCNQ1 P51787 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
NTSR1 P30989 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3065126 0.90 GAA (0.39) HTR2CHTR2BHTR2AALDH1A1MAPT
SCHEMBL3061116 0.89 HRH3 (0.37) HTR2CHTR2BHTR2AHRH3ALDH1A1
SCHEMBL3061625 0.87 HRH3 (0.36) HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL10181012 0.86 LOXL2 (0.38) HRH3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3055934 0.84 EGLN1 (0.32) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3047411 0.84 MEN1 (0.31) HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL3051214 0.83 HRH3 (0.35) HTR2CHTR2BHRH3ALDH1A1MAPT
SCHEMBL3050853 0.83 HSPB1 (0.32) HRH3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3057195 0.81 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL3060416 0.80 MEN1 (0.49) ALDH1A1MAPTSMN1; SMN2USP2TSHR

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 HTR2C 101/4885HTR2B 84/4885HTR2A 124/4885

“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.