SCHEMBL1799862

SCHEMBL1799862

COC(=O)[C@@H]1C[C@H](C)Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
POLB P06746 1/20 0.40
EGFR P00533 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 3/20 0.37
CREBBP Q92793 2/20 0.37
EP300 Q09472 1/20 0.37
IDH1 O75874 1/20 0.37
ATM Q13315 1/20 0.37
HNF4A P41235 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1799865 1.00 MAPT (0.43) MAPTHTTNPSR1TSHRGFER
SCHEMBL1799863 1.00 MAPT (0.43) MAPTHTTNPSR1TSHRGFER
SCHEMBL12652473 1.00 MAPT (0.43) MAPTHTTNPSR1TSHRGFER
SCHEMBL29208930 0.83 ALDH1A1 (0.51) MAPTHTTNPSR1TSHRGFER
SCHEMBL30832651 0.83 ALDH1A1 (0.51) MAPTHTTNPSR1TSHRGFER
SCHEMBL6584517 0.82 MAPT (0.43) MAPTHTTNPSR1TSHRGFER
SCHEMBL30542590 0.81 SLC6A3 (0.40) TSHRPOLBADRA2AADRA2BADRA2C
SCHEMBL30542594 0.81 SLC6A3 (0.40) TSHRPOLBADRA2AADRA2BADRA2C
SCHEMBL29746187 0.81 SLC6A3 (0.40) TSHRPOLBADRA2AADRA2BADRA2C
SCHEMBL8788304 0.81 ADRA2A (0.38) MAPTTSHRPOLBEGFRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7951950-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 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-20060241109-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGER2, PTGDR2, PTGER1 MAPT 4572/4885HTT 4641/4885NPSR1 293/4885

“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.