SCHEMBL13078098

SCHEMBL13078098

O=CCN1C(=O)C2(CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRL1 P41146 4/20 0.45
NPY5R Q15761 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.40
TGM2 P21980 1/20 0.40
HTR6 P50406 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.39
HSD11B1 P28845 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL3742780 0.84 OPRL1 (0.53) MEN1KMT2AOPRL1NPY5RTGM2
SCHEMBL13078162 0.82 PKM (0.47) MEN1KMT2AOPRL1TSHRSMN1; SMN2
SCHEMBL3742290 0.81 OPRL1 (0.69) OPRL1OPRM1OPRK1
SCHEMBL16812348 0.78 OPRL1 (0.48) OPRL1SMN1; SMN2OPRM1OPRK1C5AR1
SCHEMBL13077798 0.77 KMT2A (0.54) MEN1KMT2AOPRL1TSHRMAPT
SCHEMBL13078099 0.75 AOC2 (0.37) MEN1KMT2AOPRL1SMN1; SMN2OPRM1
SCHEMBL13078159 0.74 L3MBTL1 (0.38) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL12362459 0.73 OPRL1 (0.44) MEN1KMT2AOPRL1OPRM1OPRK1
SCHEMBL12362425 0.72 OPRL1 (0.43) OPRL1OPRM1OPRK1C5AR1
SCHEMBL12362454 0.72 L3MBTL1 (0.46) MEN1KMT2AOPRL1TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 MEN1 4821/4885KMT2A 4361/4885OPRL1 233/4885

“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.