SCHEMBL3477146

SCHEMBL3477146

CC[C@@]1(C(=O)O)CCC(=O)[C@@H](c2ccc(F)cc2)[C@@]1(CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HSD11B1 P28845 3/20 0.32
LIG1 P18858 1/20 0.31
SLC6A9 P48067 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR7 P34969 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4983556 1.00 KDM1A (0.34) KDM1ARCOR1HSD11B1LIG1SLC6A9
SCHEMBL706578 0.78 DDB1 (0.34) HTTMAPT
SCHEMBL8327797 0.75 LIG1 (0.36) HSD11B1LIG1HTTKMT2ATDP1
SCHEMBL7183318 0.75 LIG1 (0.36) HSD11B1LIG1HTTKMT2ATDP1
SCHEMBL705442 0.74 KDM1A (0.34) KDM1ARCOR1HSD11B1MEN1MAPK1
SCHEMBL707124 0.74 KDM1A (0.34) KDM1ARCOR1HSD11B1MEN1MAPK1
SCHEMBL2503657 0.65 RORC (0.40) KDM1ARCOR1HSD11B1LIG1SLC6A9
SCHEMBL21065308 0.63 KDM1A (0.44) KDM1ARCOR1HSD11B1LIG1
SCHEMBL19385727 0.61 HSD11B1 (0.38) HSD11B1MEN1KMT2A
SCHEMBL19385739 0.61 HSD11B1 (0.38) HSD11B1MEN1KMT2A

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-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-7345083-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 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 (2 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-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 KDM1A 1697/4885RCOR1 2764/4885HSD11B1 1444/4885
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 KDM1A 1697/4885RCOR1 2764/4885HSD11B1 1444/4885

“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.