SCHEMBL5429355

SCHEMBL5429355

CCOC(=O)C(C#N)=C1C[C@H](C)[C@@H](C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 10/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.44
MAPK1 P28482 4/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.41
CYP2C9 P11712 2/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL5429358 1.00 MAPT (0.53) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6376449 0.87 MAPT (0.50) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6376451 0.87 MAPT (0.50) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8344833 0.85 ALDH1A1 (0.52) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL14559639 0.85 ALDH1A1 (0.52) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909602 0.81 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909604 0.81 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909599 0.81 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5909621 0.81 ALDH1A1 (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3634417 0.79 MEN1 (0.57) MAPTKMT2AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7138542-B2 Method of treating tinnitus WARNER LAMBERT COMPANY (US) 2006-11-21 US disclosed
US-20060100281-A1 Method of treating tinnitus DOOLEY DAVID J 2006-05-11 US disclosed
US-7026505-B2 Method of treating tinnitus WARNER-LAMBERT COMPANY (US) 2006-04-11 US disclosed
EP-1475371-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (= GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2004-11-10 EP disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
US-6518289-B1 Especially irritable bowel syndrome PFIZER, INC. 2003-02-11 US disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1047678-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2000-11-02 EP disclosed
WO-1999031075-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 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 (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-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D MAPT 3818/4885KMT2A 823/4885KDM4E 3627/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 MAPT 3900/4885KMT2A 3421/4885KDM4E 3350/4885
US-20060100281-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRB2 MAPT 3635/4885KMT2A 706/4885KDM4E 3378/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 MAPT 3900/4885KMT2A 3421/4885KDM4E 3350/4885

“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.