SCHEMBL3556483

SCHEMBL3556483

C[C@@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
MEP1B Q16820 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR4A2 P43354 1/20 0.50
CD274 Q9NZQ7 1/20 0.49
LTA4H P09960 1/20 0.49

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
SCHEMBL497817 1.00 SIGMAR1 (0.55) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL497818 1.00 SIGMAR1 (0.55) SIGMAR1MEN1KMT2AMAPTPOLB
Hydrochloric Acid SCHEMBL7827035 0.98 SIGMAR1 (0.53) SIGMAR1MEN1KMT2AMAPTPOLB
Hydrochloric Acid SCHEMBL29221566 0.98 SIGMAR1 (0.53) SIGMAR1MEN1KMT2AMAPTPOLB
Hydrochloric Acid SCHEMBL1026469 0.98 SIGMAR1 (0.53) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL28499340 0.90 ACP3 (0.51) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL17441374 0.89 ALDH1A1 (0.56) SIGMAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL1997227 0.89 ALDH1A1 (0.56) SIGMAR1MEN1KMT2AMAPTALDH1A1
SCHEMBL24555089 0.88 LTA4H (0.57) MEN1KMT2ATSHRMEP1BLTA4H
Serine SCHEMBL28178645 0.87 ALPI (0.49) SIGMAR1MEN1KMT2APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-3790884-A1 TETRACYCLIC HETEROARYL COMPOUNDS Astrazeneca AB (SE) 2021-03-17 EP disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed
US-20160251311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED 3-AMINOPIPERIDINE REUTER CHEMISCHE APPARATEBAU KG (DE) 2016-09-01 US disclosed
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-20110124867-A1 Process and intermediates for the Synthesis of heterocyclic Substituted Piperazines with CXCR3 Antagonist Activity SCHERING CORPORATION (US) 2011-05-26 US disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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 (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-20110124867-A1 Process and intermediates for the Synthesis of heterocyclic Substituted Piperazines with CXCR3 Antagonist Activity CXCR3, CXCR5, CCR5 SIGMAR1 1284/4885MEN1 3553/4885KMT2A 3975/4885
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A SIGMAR1 249/4885MEN1 1542/4885KMT2A 3307/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B SIGMAR1 260/4885MEN1 1633/4885KMT2A 3492/4885
US-20160251311-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED 3-AMINOPIPERIDINE NPEPPS, AASDHPPT, DNPEP SIGMAR1 817/4885MEN1 4293/4885KMT2A 2141/4885

“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.