SCHEMBL19083750

SCHEMBL19083750

CCC(=O)N1CC[C@H](C)[C@H]1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.34
EPHX2 P34913 3/20 0.33
ALDH1A1 P00352 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
NPC1 O15118 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
BLM P54132 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA7 P36544 1/20 0.31
RIPK1 Q13546 1/20 0.30
ACE P12821 1/20 0.30

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
SCHEMBL4252585 0.83 TSHR (0.38) TSHRMEN1HTTKMT2AMAPT
SCHEMBL4254625 0.83 TSHR (0.38) TSHRMEN1HTTKMT2AMAPT
SCHEMBL4251810 0.83 TSHR (0.38) TSHRMEN1HTTKMT2AMAPT
SCHEMBL2544915 0.83 TSHR (0.38) TSHRMEN1HTTKMT2AMAPT
SCHEMBL4252620 0.83 TSHR (0.38) TSHRMEN1HTTKMT2AMAPT
SCHEMBL4251812 0.83 TSHR (0.38) TSHRMEN1HTTKMT2AMAPT
SCHEMBL10421350 0.81 MEN1 (0.35) TSHRMEN1HTTKMT2AMAPT
SCHEMBL1025789 0.80 ATM (0.31) MAPT
SCHEMBL1081071 0.80 ATM (0.31) MAPT
SCHEMBL38660094 0.79 GAA (0.40) TSHRHTTMAPTALDH1A1

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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 TSHR 475/4885MEN1 1465/4885HTT 1368/4885

“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.