SCHEMBL7880558

SCHEMBL7880558

N[C@@H]1C(=O)Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP2C9 P11712 2/20 0.43
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ANPEP P15144 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL7219661 1.00 ATM (0.47) ATMMAOAMAOBCYP2C9GAA
SCHEMBL3374471 0.83 ATM (0.47) ATMMAOAMAOBCYP2C9GAA
SCHEMBL88261 0.81 MAOA (0.58) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL29413779 0.81 MAOA (0.58) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL13061690 0.77 ALOX15 (0.46) ANPEPMEN1KMT2AKDM4EALDH1A1
SCHEMBL4422553 0.76 ATM (0.46) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL4422548 0.76 ATM (0.46) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL20785351 0.76 MAOA (0.46) ATMMAOAMAOBCYP2C9GAA
SCHEMBL20785354 0.76 MAOA (0.46) ATMMAOAMAOBCYP2C9GAA
SCHEMBL20785353 0.76 MAOA (0.46) ATMMAOAMAOBCYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATM 2436/4885MAOA 2395/4885MAOB 1954/4885
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF ATM 2433/4885MAOA 2355/4885MAOB 1908/4885
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF ATM 2436/4885MAOA 2395/4885MAOB 1954/4885

“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.