SCHEMBL16319122

SCHEMBL16319122

COc1ccc(F)c(-c2ncc(CO)cc2CCC#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.39
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
GRM2 Q14416 2/20 0.35
KDM1A O60341 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PIM1 P11309 1/20 0.33
DHODH Q02127 1/20 0.33
KMT2A Q03164 1/20 0.33
GRK6 P43250 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL16319080 0.83 FFAR1 (0.33) FFAR1GRM2KDM1APDE4APDE4B
SCHEMBL16319150 0.82 DHODH (0.38) FFAR1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL16319296 0.81 FFAR1 (0.41) FFAR1CYP11B1CYP11B2KDM1ANPC1
SCHEMBL16319322 0.80 FFAR1 (0.36) FFAR1KDM1A
SCHEMBL16319387 0.73 FFAR1 (0.42) FFAR1CYP11B1CYP11B2KDM1A
SCHEMBL16318556 0.72 ESR1 (0.39) FFAR1ALDH1A1GAA
SCHEMBL16318579 0.70 FFAR1 (0.39) FFAR1CYP11B1KDM1ANPC1RAB9A
SCHEMBL16319117 0.69 CNR1 (0.35) FFAR1KDM1APIM1
SCHEMBL17419037 0.69 KDM4E (0.42) FFAR1NPC1RAB9AKMT2AGRK6
SCHEMBL17418840 0.68 USP7 (0.41) FFAR1KDM1ANPC1RAB9AKMT2A

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 31/4885CYP11B1 369/4885CYP11B2 624/4885

“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.