SCHEMBL7892102

SCHEMBL7892102

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 5/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
ANPEP P15144 1/20 0.38

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
SCHEMBL7892110 1.00 LMNA (0.43) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL7880901 1.00 LMNA (0.43) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL7888501 1.00 LMNA (0.43) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL11923661 1.00 LMNA (0.43) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL7892540 1.00 LMNA (0.43) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL17202943 0.86 KMT2A (0.50) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL1068738 0.86 KMT2A (0.50) LMNAPOLBALDH1A1HPGDHTT
SCHEMBL17202944 0.86 KMT2A (0.50) LMNAPOLBALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL1068734 0.84 KMT2A (0.49) LMNAPOLBALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL1068739 0.84 KMT2A (0.49) LMNAPOLBALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 4214/4885POLB 4205/4885ALDH1A1 2327/4885
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF LMNA 4230/4885POLB 4172/4885ALDH1A1 2354/4885
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF LMNA 4214/4885POLB 4205/4885ALDH1A1 2327/4885

“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.