SCHEMBL3267544

SCHEMBL3267544

Fc1ccc(-c2ccnc(N3CCNCC3)n2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
ADRB1 P08588 1/20 0.50
KMO O15229 1/20 0.48
FEN1 P39748 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CCNT1 O60563 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
ROCK2 O75116 2/20 0.42
DYRK1A Q13627 2/20 0.41
ACHE P22303 2/20 0.41
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
DPP4 P27487 1/20 0.40

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
Hydrochloric Acid SCHEMBL3274799 0.88 FAAH (0.53) FAAHADRB1FEN1KDM4EALDH1A1
SCHEMBL13309353 0.84 ADRB1 (0.52) FAAHADRB1FEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3273474 0.83 KDM4E (0.51) FAAHADRB1FEN1KDM4EALDH1A1
SCHEMBL3274902 0.80 FAAH (0.53) FAAHKMOFEN1
Hydrochloric Acid SCHEMBL3275509 0.80 ADRB1 (0.54) ADRB1KDM4EALDH1A1ROCK2ACHE
SCHEMBL12469782 0.79 FAAH (0.54) FAAHADRB1KDM4EALDH1A1CCNT1
Hydrochloric Acid SCHEMBL3270373 0.78 ADRB1 (0.52) FAAHADRB1KDM4EALDH1A1ROCK2
Hydrochloric Acid SCHEMBL3268535 0.78 FAAH (0.53) FAAHADRB1KDM4EALDH1A1CCNT1
Hydrochloric Acid SCHEMBL3270101 0.78 PIK3CA (0.51) FAAHADRB1KMOKDM4EALDH1A1
SCHEMBL3272680 0.77 FAAH (0.53) FAAHADRB1FEN1KDM4EALDH1A1

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-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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 (2 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885ADRB1 594/4885KMO 1059/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885ADRB1 594/4885KMO 1059/4885

“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.