SCHEMBL4080158

SCHEMBL4080158

CC(C)CCNCc1ccc(Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CA2 P00918 1/20 0.37
HTR2A P28223 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GPR35 Q9HC97 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 2/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL4080105 0.83 NPSR1 (0.40) NPSR1MAPTMAPK1L3MBTL1CA2
SCHEMBL18232513 0.79 MC4R (0.39) NPSR1MAPTMAPK1L3MBTL1CARM1
SCHEMBL4963839 0.78 HDAC1 (0.46) NPSR1MAPTMAPK1L3MBTL1CA2
SCHEMBL8252707 0.78 GABRA1 (0.44) MAPTMAPK1HTR2AMEN1KMT2A
SCHEMBL1002024 0.77 SLC2A1 (0.38) SLC6A4
Hydrochloric Acid SCHEMBL999343 0.76 SLC2A1 (0.40) CA2MEN1KMT2A
SCHEMBL17176781 0.74 LOXL2 (0.39) MAPTCARM1PRMT6MEN1KMT2A
SCHEMBL13966241 0.74 SCN8A (0.54) CARM1PRMT6CA2HTR2AMEN1
SCHEMBL30609114 0.74 OPRK1 (0.38) MAPTCARM1PRMT6HTR2AMEN1
SCHEMBL6078627 0.72 CYP1A2 (0.54) NPSR1MAPTMAPK1L3MBTL1MEN1

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
CN-101583593-A Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER PROD INC (US) 2009-11-18 CN disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 NPSR1 35/4885MAPT 3484/4885MAPK1 2263/4885

“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.