SCHEMBL18254530

SCHEMBL18254530

COc1ccc(C2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.78
TSHR P16473 2/20 0.78
MAPK1 P28482 1/20 0.78
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
ALDH1A1 P00352 3/20 0.75
ALOX12 P18054 1/20 0.75
KDM4E B2RXH2 6/20 0.73
CYP2C19 P33261 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
CCKBR P32239 2/20 0.66
HDAC1 Q13547 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 1/20 0.62
MAPT P10636 2/20 0.60
HPGD P15428 1/20 0.60
PDE5A O76074 2/20 0.59
SSTR3 P32745 1/20 0.57
HTT P42858 1/20 0.54

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
SCHEMBL1921430 1.00 CYP2D6 (0.78) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL13568945 1.00 CYP2D6 (0.78) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL12967653 0.90 CCKBR (0.82) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL1921747 0.90 CCKBR (0.82) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL12967991 0.90 CCKBR (0.82) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL1922130 0.90 CCKBR (0.82) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL16489369 0.90 CCKBR (0.82) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL687360 0.88 MEN1 (0.74) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL17760630 0.88 CYP2D6 (1.00) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL28478851 0.88 CYP2D6 (1.00) CYP2D6TSHRMAPK1MEN1KMT2A

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-20160340355-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME SJT MOLECULAR RES S L (ES) 2016-11-24 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-20160340355-A1 COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME GPR119, GOT2, PC CYP2D6 347/4885TSHR 1374/4885MAPK1 1141/4885

“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.