SCHEMBL7330767

SCHEMBL7330767

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.42
ITGA5 P08648 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGB2 P05107 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGAL P20701 1/20 0.42
IDUA P35475 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
CRBN Q96SW2 1/20 0.34
POLB P06746 1/20 0.33
BRD4 O60885 3/20 0.32
CREBBP Q92793 2/20 0.32
EP300 Q09472 1/20 0.32
CAD P27708 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4629491 1.00 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL31697657 1.00 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL4629492 1.00 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL19850672 1.00 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7282443 1.00 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL31694886 1.00 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL9747922 0.79 IDUA (0.34) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL10411814 0.78 ALDH1A1 (0.41) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL14551177 0.78 ALDH1A1 (0.41) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL12974414 0.77 CRBN (0.33) ITGB1ITGA5ITGB3ITGB2ITGAV

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
US-9428458-B2 Substituted pyridoxine-lactam carboxylate-salts ALCOBRA LTD. (IL) 2016-08-30 US disclosed
US-20160199362-A1 METHOD FOR THE TREATMENT, ALLEVIATION OF SYMPTOMS OF, RELIEVING, IMPROVING AND PREVENTING A COGNITIVE DISEASE, DISORDER OR CONDITION ALCOBRA LTD. (IL) 2016-07-14 US disclosed
US-20160199362-A1 METHOD FOR THE TREATMENT, ALLEVIATION OF SYMPTOMS OF, RELIEVING, IMPROVING AND PREVENTING A COGNITIVE DISEASE, DISORDER OR CONDITION ALCOBRA LTD. (IL) 2016-07-14 US disclosed
US-20150025111-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE-SALTS ALCOBRA LTD. (IL) 2015-01-22 US disclosed
US-8889715-B2 Substituted pyridoxine-lactam carboxylate salts ALCOBRA LTD. (IL) 2014-11-18 US disclosed
US-8710067-B2 Method for the treatment, alleviation of symptoms of, relieving, improving and preventing a cognitive disease, disorder or condition ALCOBRA LTD. (IL) 2014-04-29 US disclosed
US-20130059887-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS ALCOBRA LTD. (IL) 2013-03-07 US disclosed
US-20110294859-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS ALCOBRA LTD. (IL) 2011-12-01 US disclosed
US-20080108830-A1 Production method of optically active 2-[(N-benzylprolyl)amino]benzo-phenone compound AJINOMOTO CO. INC (JP) 2008-05-08 US disclosed
EP-1918276-A1 Production method of optically active 2- [ (N-Benzylprolyl) Amino ] Benzophenone compound Ajinomoto Co., Inc. (JP) 2008-05-07 EP disclosed
US-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 US disclosed
EP-0384380-A2 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC. (JP) 1990-08-29 EP 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 (5 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-20130059887-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS PLPBP, PNPO, ADH5 ITGB1 2629/4885ITGA5 407/4885ITGB3 2306/4885
US-20080108830-A1 Production method of optically active 2-[(N-benzylprolyl)amino]benzo-phenone compound NPEPPS, SYMPK, REN ITGB1 4499/4885ITGA5 3077/4885ITGB3 4285/4885
US-20160199362-A1 METHOD FOR THE TREATMENT, ALLEVIATION OF SYMPTOMS OF, RELIEVING, IMPROVING AND PREVENTING A COGNITIVE DISEASE, DISORDER OR CONDITION ACHE, BCHE, GRIK5 ITGB1 4749/4885ITGA5 3429/4885ITGB3 4863/4885
US-20150025111-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE-SALTS PNPO, PLPBP, NQO1 ITGB1 2373/4885ITGA5 299/4885ITGB3 2108/4885
US-20110294859-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS PLPBP, PNPO, ADH5 ITGB1 2629/4885ITGA5 407/4885ITGB3 2306/4885

“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.