SCHEMBL7886396

SCHEMBL7886396

N[C@@H](C[C@@H]1CCCO1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
ANPEP P15144 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GRIN2D O15399 5/20 0.41
GRIN3B O60391 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2A Q12879 5/20 0.41
GRIN2B Q13224 5/20 0.41
GRIN2C Q14957 5/20 0.41
GRIN3A Q8TCU5 5/20 0.41

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
SCHEMBL7366756 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL935828 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL1711635 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL7887892 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL1711638 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL7880579 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL7888124 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL7888410 1.00 USP2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL936034 0.95 GRIN2D (0.43) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL20543621 0.85 SMN1; SMN2 (0.45) USP2SMN1; SMN2TP53HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2012-08-16 US claimed
EP-2454229-B1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN RISEN (SHANGHAI) PHARMA TECH CO LTD (CN) 2017-09-13 EP disclosed
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN LU, Jiasheng (CN) 2016-08-04 US disclosed
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN LU, Jiasheng (CN) 2016-08-04 US disclosed
US-9233913-B2 Amino acid derivatives for the treatment of neuropathic pain Kong, Xianqi (CA) 2016-01-12 US disclosed
US-9233913-B2 Amino acid derivatives for the treatment of neuropathic pain Kong, Xianqi (CA) 2016-01-12 US disclosed
US-20140171507-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2014-06-19 US disclosed
US-20140171507-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2014-06-19 US disclosed
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2012-08-16 US disclosed
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2012-08-16 US disclosed
WO-2010127439-A1 AMMO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-11-11 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 (3 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-20140171507-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF USP2 3820/4885SMN1; SMN2 212/4885TP53 4529/4885
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF USP2 3892/4885SMN1; SMN2 213/4885TP53 4523/4885
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF USP2 3820/4885SMN1; SMN2 212/4885TP53 4529/4885

“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.