SCHEMBL78124

SCHEMBL78124

Fc1ccc(CCCBr)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.44
PTPN7 P35236 6/20 0.43
DUSP3 P51452 6/20 0.43
AR P10275 1/20 0.40
GPR84 Q9NQS5 1/20 0.37
KIF11 P52732 1/20 0.37
EPHX1 P07099 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36
DAO P14920 2/20 0.36
SLC6A4 P31645 1/20 0.35
P2RX7 Q99572 1/20 0.34
PDPK1 O15530 1/20 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
SCHEMBL27789311 0.89 NR3C2 (0.46) NR3C2PTPN7DUSP3ARKIF11
SCHEMBL78974 0.86 DAO (0.49) GPR84KIF11DAOP2RX7PDPK1
SCHEMBL297428 0.84 NR3C2 (0.48) NR3C2PTPN7DUSP3ARGPR84
SCHEMBL81056 0.82 NR3C2 (0.47) NR3C2PTPN7DUSP3ARGPR84
SCHEMBL29766263 0.81 PTPN7 (0.48) NR3C2PTPN7DUSP3ARKIF11
SCHEMBL118433 0.81 PTPN7 (0.48) NR3C2PTPN7DUSP3ARKIF11
SCHEMBL11707484 0.81 GPR84 (0.55) GPR84DAOSLC6A4
SCHEMBL3244152 0.79 TAAR1 (0.53) NR3C2PTPN7DUSP3ARCYP2D6
SCHEMBL19309519 0.79 HTR2A (0.49) NR3C2CYP3A4SLC6A4
SCHEMBL80232 0.79 DAO (0.42) DAO

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 10 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
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
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 NR3C2 128/4885PTPN7 161/4885DUSP3 1348/4885

“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.