SCHEMBL7677569

SCHEMBL7677569

CC[C@H]1CCN(C(C)=O)[C@@H]1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DNMT1 P26358 2/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 10/20 0.31
CHRM4 P08173 10/20 0.31
CHRM5 P08912 10/20 0.31
CHRM1 P11229 10/20 0.31
CHRM3 P20309 10/20 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
SCHEMBL19083908 1.00 ATM (0.34) ATMMEN1TSHRHTTKMT2A
SCHEMBL7677570 1.00 ATM (0.34) ATMMEN1TSHRHTTKMT2A
SCHEMBL7677574 1.00 ATM (0.34) ATMMEN1TSHRHTTKMT2A
Butane SCHEMBL7678465 0.96 MEN1 (0.33) ATMMEN1TSHRHTTKMT2A
SCHEMBL26119442 0.87 DNMT1 (0.34) DNMT1
SCHEMBL20629796 0.87 CHRM2 (0.32) MEN1TSHRHTTKMT2ACHRM2
SCHEMBL26115363 0.87 DNMT1 (0.34) DNMT1
SCHEMBL18771738 0.87 CHRM2 (0.32) MEN1TSHRHTTKMT2ACHRM2
SCHEMBL18771733 0.87 CHRM2 (0.32) MEN1TSHRHTTKMT2ACHRM2
SCHEMBL14339361 0.81 ATM (0.40) ATMMEN1TSHRHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
US-6350882-B1 REACTION OF PROLINE SALT AND ALKALI HALIDE WITH UNSATURATED ALDEHYDE, MIXING, ACIDIFICATION AND BASIFICATION MERCK & CO., INC. 2002-02-26 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ATM 4395/4885MEN1 1465/4885TSHR 475/4885

“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.