SCHEMBL2599593

SCHEMBL2599593

Clc1ccc(Oc2cccc(N3CCOCC3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.45
MAPT P10636 2/20 0.44
DHFR P00374 1/20 0.43
CNR2 P34972 2/20 0.43
AGXT P21549 1/20 0.43
F10 P00742 1/20 0.42
KMO O15229 1/20 0.42
LMNA P02545 1/20 0.41
CAMK2D Q13557 1/20 0.41
NTRK1 P04629 1/20 0.41
FAAH O00519 1/20 0.40
ALKBH1 Q13686 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BTK Q06187 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
SCHEMBL3653339 0.88 CHRNA3 (0.42) MAPTDHFRAGXTF10CAMK2D
SCHEMBL2597597 0.86 DHFR (0.45) AKR1C3MAPTDHFRCNR2AGXT
SCHEMBL3656991 0.84 ADRA2C (0.47) MAPTAGXT
SCHEMBL3650599 0.81 F10 (0.44) AKR1C3MAPTDHFRCNR2AGXT
SCHEMBL3652838 0.79 ALDH1A1 (0.58) LMNA
SCHEMBL21345910 0.76 MAPK1 (0.50) AKR1C3MAPTAGXTF10KMO
SCHEMBL16621272 0.76 ALDH1A1 (0.56) MAPTDHFRAGXTF10KMO
SCHEMBL8064837 0.75 MET (0.51) KMT2A
SCHEMBL29552004 0.75 AKR1C3 (0.70) AKR1C3MAPTCNR2LMNAMEN1
SCHEMBL3651256 0.75 MET (0.51) MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
EP-2205317-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2010-07-14 EP disclosed
WO-2009044160-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2009-04-09 WO disclosed
WO-2009044160-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2009-04-09 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-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HCRTR1, HCRTR2, RTN3 AKR1C3 423/4885MAPT 312/4885DHFR 1852/4885

“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.