SCHEMBL2901770

SCHEMBL2901770

CC1CCCC1(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.45
ARG2 P78540 2/20 0.45
GRM2 Q14416 6/20 0.41
GRM3 Q14832 4/20 0.41
GRM6 O15303 3/20 0.41
GRM8 O00222 1/20 0.41
GRM1 Q13255 2/20 0.36
GRM5 P41594 1/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM4 Q14833 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL1632919 0.98 ARG1 (0.44) ARG1ARG2GRM2GRM3GRM6
SCHEMBL2899251 0.94 GRM2 (0.40) ARG1ARG2GRM2GRM3GRM6
SCHEMBL10392022 0.94 GRM2 (0.40) ARG1ARG2GRM2GRM3GRM6
Hydrochloric Acid SCHEMBL3129049 0.92 ARG1 (0.39) ARG1ARG2GRM2GRM3GRM6
SCHEMBL13472248 0.86
Hydrochloric Acid SCHEMBL14676591 0.84 GRM2 (0.47) ARG1GRM2GRM3GRM6GRM8
SCHEMBL16594983 0.77 EPHX1 (0.38) ARG1ARG2
SCHEMBL20543419 0.76 GRM6 (0.41) ARG1ARG2GRM2GRM3GRM6
SCHEMBL8443472 0.76 ARG1 (0.46) ARG1ARG2GRM2GRM3GRM6
SCHEMBL7752047 0.76 GRM2 (0.47) ARG1ARG2GRM2GRM3GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN claimed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
US-8269046-B2 Cyclic bisamides useful in formulating inks for phase-change printing ARIZONA CHEMICAL COMPANY, LLC (US) 2012-09-18 US disclosed
EP-1631633-B1 CYCLIC BISAMIDES USEFUL IN FORMULATING INKS FOR PHASE-CHANGE PRINTING ARIZONA CHEM (US) 2010-08-11 EP disclosed
US-20100064933-A1 Cyclic Bisamides Useful in Formulating Inks for Phase-Change Printing ARIZONA CHEMICAL COMPANY LLC 2010-03-18 US disclosed
US-20060128992-A1 Cyclic bisamides useful in formulating inks for phase-change printing ARIZONA CHEMICAL COMPANY 2006-06-15 US disclosed
EP-1631633-A2 CYCLIC BISAMIDES USEFUL IN FORMULATING INKS FOR PHASE-CHANGE PRINTING Arizona Chemical Company (US) 2006-03-08 EP disclosed
US-6960248-B2 Cyclic bisamides useful in formulating inks for phase-change printing ARIZONA CHEMICAL COMPANY (US) 2005-11-01 US disclosed
WO-2004106442-A2 CYCLIC BISAMIDES USEFUL IN FORMULATING INKS FOR PHASE-CHANGE PRINTING ARIZONA CHEMICAL COMPANY (US) 2004-12-09 WO disclosed
US-20040231555-A1 Cyclic bisamides useful in formulating inks for phase-change printing ARIZONA CHEMICAL COMPANY 2004-11-25 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP ARG1 229/4885ARG2 316/4885GRM2 2853/4885
US-20060128992-A1 Cyclic bisamides useful in formulating inks for phase-change printing FHIT, DDC, MNAT1 ARG1 1045/4885ARG2 889/4885GRM2 1395/4885

“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.