SCHEMBL2803127

SCHEMBL2803127

[CH2][C@H]1[C@H]2C[C@H]2CN1C(=O)c1sccc1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCAT2 O15382 1/20 0.33
PTGS2 P35354 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
EGFR P00533 1/20 0.31
TYMS P04818 1/20 0.31
LTA4H P09960 1/20 0.31
VDR P11473 1/20 0.31
SRC P12931 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL2799399 0.87 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A1TSHRL3MBTL1
SCHEMBL3412456 0.84 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1TSHRPOLB
SCHEMBL3412461 0.83 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1TSHRPOLB
SCHEMBL2800495 0.82 POLB (0.34) HCRTR1HCRTR2POLBPTGS2
SCHEMBL1340422 0.73 PTGS1 (0.40) HCRTR1HCRTR2ALDH1A1TSHRL3MBTL1
SCHEMBL1340425 0.73 PTGS1 (0.38) HCRTR1HCRTR2ALDH1A1TSHRL3MBTL1
SCHEMBL3459795 0.72 HDAC7 (0.46) HCRTR1HCRTR2
SCHEMBL3460327 0.72 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2801596 0.72 HCRTR2 (0.44) HCRTR1HCRTR2L3MBTL1
SCHEMBL3413481 0.72 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1TSHRL3MBTL1

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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885ALDH1A1 747/4885

“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.