SCHEMBL80920

SCHEMBL80920

FC1(F)Oc2ccc(CCCBr)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
CYP19A1 P11511 1/20 0.37
SLC6A4 P31645 1/20 0.36
PTGDR Q13258 1/20 0.36
CYP2D6 P10635 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
DRD4 P21917 1/20 0.35
NOTUM Q6P988 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOS2 P35228 1/20 0.34
ROCK2 O75116 1/20 0.34
CALM1 P0DP23 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL22657573 0.89 CTNNB1 (0.41) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL80862 0.84 CTNNB1 (0.41) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL27044834 0.84 SKP2 (0.42) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL2537768 0.81 CYP19A1 (0.43) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL22657669 0.80 CTNNB1 (0.43) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL8367478 0.80 CNR1 (0.40) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL1971747 0.80 TAAR1 (0.53) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL22657885 0.79 FAAH (0.45) FAAHCTNNB1WNT3ACYP19A1SLC6A4
SCHEMBL934525 0.79 CTNNB1 (0.47) FAAHCTNNB1WNT3ACYP2D6MRGPRX4
Hydrochloric Acid SCHEMBL4511238 0.79 TAAR1 (0.51) FAAHCTNNB1WNT3ACYP19A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C FAAH 1832/4885CTNNB1 1719/4885WNT3A 2773/4885

“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.