SCHEMBL4977101

SCHEMBL4977101

COCc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.53
TACR1 P25103 10/20 0.43
MAOB P27338 4/20 0.41
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1H O95180 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
SCHEMBL280585 0.86 IDO1 (0.63) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL8281936 0.80 ALDH1A1 (0.35) IDO1TSHRMAPK1
SCHEMBL2130249 0.80 ALDH1A1 (0.35) IDO1TSHRMAPK1
SCHEMBL16956459 0.79 IDO1 (0.50) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL25112281 0.79 IDO1 (0.50) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL10959537 0.79 IDO1 (0.44) IDO1TACR1MAOBTSHRMAPK1
SCHEMBL29467109 0.79 IDO1 (0.44) IDO1TACR1MAOBTSHRMAPK1
SCHEMBL27734414 0.78 IDO1 (0.46) IDO1TACR1MAOB
SCHEMBL5426047 0.78 IDO1 (0.39) IDO1TACR1MAOBCACNA1FCACNA1D
SCHEMBL864911 0.78 IDO1 (0.47) IDO1MAOBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 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 (1 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 IDO1 1457/4885TACR1 1079/4885MAOB 497/4885

“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.