SCHEMBL16319059

SCHEMBL16319059

COc1ccc(F)c(-c2ccc(CCl)nc2CC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.51
GRK6 P43250 1/20 0.38
AMY1A P0DUB6 2/20 0.36
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
KDM1A O60341 1/20 0.35
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE4A P27815 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE6H Q13956 1/20 0.35
PDE3A Q14432 1/20 0.35
IDH2 P48735 1/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL16319376 0.88 FFAR1 (0.51) FFAR1GRK6AMY1APDE2APDE10A
SCHEMBL16318830 0.88 FFAR1 (0.53) FFAR1GRK6AMY1APDE2APDE10A
SCHEMBL16319222 0.85 FFAR1 (0.47) FFAR1GRK6AMY1APDE2APDE10A
SCHEMBL16318899 0.82 FFAR1 (0.48) FFAR1GRK6AMY1APDE2APDE10A
SCHEMBL17418945 0.82 FFAR1 (0.54) FFAR1GRK6KDM1ARAB9ANPC1
SCHEMBL16319307 0.80 FFAR1 (0.51) FFAR1GRK6AMY1AKDM1AALDH1A1
SCHEMBL16318921 0.80 FFAR1 (0.46) FFAR1GRK6AMY1APDE2APDE10A
SCHEMBL16318636 0.80 FFAR1 (0.53) FFAR1GRK6RAB9ANPC1KDM4E
SCHEMBL16319375 0.79 FFAR1 (0.51) FFAR1GRK6AMY1AKDM1AALDH1A1
SCHEMBL16319205 0.79 FFAR1 (0.51) FFAR1GRK6AMY1APDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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 (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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 FFAR1 31/4885GRK6 394/4885AMY1A 1464/4885

“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.