SCHEMBL5457675

SCHEMBL5457675

Clc1nnc(N2CCOCC2)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
CNR2 P34972 7/20 0.51
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CSNK1D P48730 2/20 0.44
MAPK14 Q16539 2/20 0.44
PKM P14618 1/20 0.44
MAPK11 Q15759 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5559678 0.82 CNR2 (0.50) ALDH1A1KDM4ELMNACNR2MAPT
SCHEMBL5010343 0.80 CSNK1D (0.67) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL4438731 0.79 ALDH1A1 (0.44) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL11354056 0.76 KDM4E (0.54) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL1753075 0.75 CSNK1D (0.60) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL1752929 0.73 MAPT (0.50) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL1073052 0.73 KMT2A (0.51) HTTALDH1A1KDM4EHPGDCNR2
SCHEMBL5455218 0.73 HTT (0.56) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL1752837 0.72 CNR2 (0.64) HTTALDH1A1KDM4ECNR2MAPT
SCHEMBL2954119 0.72 CKS1B (0.57) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300932-B2 Pyrrolo[1,2-b]pyridazine derivatives JAPAN TOBACCO INC. (JP) 2007-11-27 US disclosed
CN-1913899-A Anorectic compounds JAPAN TOBACCO INC (JP) 2007-02-14 CN disclosed
US-20070027093-A1 Anorectic JAPAN TOBACCO INC. (JP) 2007-02-01 US disclosed
EP-1653969-A4 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC (JP) 2006-12-20 EP disclosed
EP-1718309-A2 ANORECTIC COMPOUNDS Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1653969-A2 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES Japan Tabacco Inc. (JP) 2006-05-10 EP disclosed
WO-2005072740-A2 ANORECTIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-08-11 WO disclosed
US-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism TULARIK INC. (US) 2005-03-31 US disclosed
WO-2005013907-A2 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC. (JP) 2005-02-17 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 (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-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism PC, ACACB, ACAT1 HTT 894/4885ALDH1A1 978/4885KDM4E 2907/4885
US-20070027093-A1 Anorectic DGAT1, DGAT2, GPR119 HTT 1859/4885ALDH1A1 303/4885KDM4E 2110/4885

“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.