SCHEMBL1927243

SCHEMBL1927243

CC(C)(C)N(C(=O)O)[C@H](c1ccccc1)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HCRTR1 O43613 1/20 0.35
POLB P06746 1/20 0.35
ADORA1 P30542 3/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
ACR P10323 1/20 0.32
PDGFRB P09619 1/20 0.32
NOD2 Q9HC29 1/20 0.32
TACR3 P29371 4/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1927415 0.80 CNR2 (0.35) MAPTNPSR1POLBADORA1ALDH1A1
SCHEMBL1929225 0.80 TACR3 (0.34) GAAPOLBADORA1ALDH1A1ACR
SCHEMBL1928635 0.78 TACR3 (0.36) ADORA1ALDH1A1TACR3
SCHEMBL1928432 0.78 MEN1 (0.36) GAAMAPTHTTNPSR1ALDH1A1
SCHEMBL1929440 0.77 TACR3 (0.36) MAPTADORA1TACR3
SCHEMBL1928368 0.76 TACR3 (0.38) ADORA1TACR3
SCHEMBL1926818 0.74 ATM (0.36) ADORA1ATM
SCHEMBL1927864 0.74 KDM4E (0.46) GAAMAPTPOLBKDM4ELMNA
SCHEMBL1928985 0.70 CNR1 (0.40) MAPTPOLBADORA1ALDH1A1TACR3
SCHEMBL17076848 0.70 ALDH1A1 (0.39) GAAMAPTHTTNPSR1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US disclosed
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 US disclosed
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 US 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT GAA 431/4885MAPT 490/4885HTT 13/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA GAA 328/4885MAPT 360/4885HTT 15/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 GAA 4369/4885MAPT 1207/4885HTT 98/4885

“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.