SCHEMBL2232656

SCHEMBL2232656

CC(C)[C@H](NCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.46
GGT1 P19440 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CPB2 Q96IY4 2/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL2232653 1.00 GABRR1 (0.46) GABRR1GGT1SMN1; SMN2CPB2PLA2G2A
SCHEMBL3188611 1.00 GABRR1 (0.46) GABRR1GGT1SMN1; SMN2CPB2PLA2G2A
Trifluoroacetic Acid SCHEMBL3611486 0.89 GABRR1 (0.38) GABRR1GGT1SMN1; SMN2CPB2PLA2G2A
SCHEMBL7209148 0.88 SMN1; SMN2 (0.42) GABRR1SMN1; SMN2CPB2PLA2G2APLA2G5
SCHEMBL27698867 0.88 SMN1; SMN2 (0.42) GABRR1SMN1; SMN2CPB2PLA2G2APLA2G5
SCHEMBL4622349 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PLA2G2APLA2G5SLC7A5ALDH1A1
SCHEMBL526345 0.85 GABRR1 (0.45) GABRR1GGT1SMN1; SMN2CPB2CA1
SCHEMBL3470018 0.83 ALDH1A1 (0.52) GABRR1GGT1ALDH1A1CA1CA2
SCHEMBL2153099 0.83 GABRR1 (0.43) GABRR1GGT1SMN1; SMN2CPB2CA1
SCHEMBL4866552 0.83 GABRR1 (0.43) GABRR1GGT1SMN1; SMN2CPB2ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778225-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-05-02 EP claimed
WO-2006019886-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO claimed
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 EP disclosed
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 EP disclosed
EP-1940470-B1 Antibody-drug conjugates and their use MEDAREX INC (US) 2013-04-17 EP disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-7691962-B2 Chemical linkers and conjugates thereof MEDAREX, INC. (US) 2010-04-06 US disclosed
CN-101312748-A Antibody-drug conjugates and methods of use MEDAREX INC (US) 2008-11-26 CN disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 US disclosed
WO-2007038658-A2 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MEDAREX, INC. (US) 2007-04-05 WO disclosed
EP-1747021-A2 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES Medarex, Inc. (US) 2007-01-31 EP disclosed
US-20060024317-A1 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC (US) 2006-02-02 US disclosed
WO-2005112919-A2 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES MEDAREX, INC. (US) 2005-12-01 WO 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 (4 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS GABRR1 1845/4885GGT1 2581/4885SMN1; SMN2 4348/4885
US-20060024317-A1 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors CD74, HSP90B1, LY96 GABRR1 2892/4885GGT1 134/4885SMN1; SMN2 1727/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS GABRR1 1845/4885GGT1 2581/4885SMN1; SMN2 4348/4885
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use CD47, ANTXR2, CD2BP2 GABRR1 409/4885GGT1 226/4885SMN1; SMN2 2059/4885

“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.