SCHEMBL6331005

SCHEMBL6331005

O=C(OCc1ccccc1)C1=C(COC23CC4CC(CC(C4)C2)C3)NC(C2CCCCC2)N1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
FKBP1A P62942 2/20 0.38
ADORA3 P0DMS8 2/20 0.36
EPHX2 P34913 3/20 0.35
ELANE P08246 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCKBR P32239 1/20 0.34
CASP1 P29466 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6334399 0.92 CCKBR (0.37) TSHRCYP3A4FKBP1AEPHX2CCKBR
SCHEMBL6334504 0.89 TSHR (0.40) TSHRCYP3A4FKBP1AADORA3EPHX2
SCHEMBL6332402 0.88 CCKBR (0.37) FKBP1AEPHX2CCKBR
SCHEMBL7045618 0.82 CCKBR (0.39) CYP3A4FKBP1AEPHX2ALDH1A1MAPT
SCHEMBL6330066 0.80 CCKBR (0.35) CYP3A4FKBP1AEPHX2ALDH1A1MAPT
SCHEMBL6338565 0.74 SMN1; SMN2 (0.40) TSHRCYP3A4KDM4EALDH1A1MAPT
SCHEMBL6340323 0.74 SMN1; SMN2 (0.42) TSHRCYP3A4EPHX2KDM4EALDH1A1
SCHEMBL6096321 0.69 CCKBR (0.61) FKBP1AADORA3EPHX2CCKBR
SCHEMBL6334377 0.68 CCKBR (0.33) EPHX2CCKBR
SCHEMBL6097679 0.67 CCKBR (0.40) TSHRFKBP1AADORA3EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878734-B2 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-23 US disclosed
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO 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-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR TSHR 242/4885CYP3A4 2093/4885FKBP1A 1271/4885

“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.