SCHEMBL5455218

SCHEMBL5455218

c1ccc(-c2cnnc(N3CCOCC3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 3/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAK O14976 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
ADORA1 P30542 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL5559514 0.81 KCNH2 (0.49) ALDH1A1NPSR1MAPTCYP11B1CYP11B2
SCHEMBL27667321 0.81 CNR2 (0.64) HTTLMNACNR2
SCHEMBL16773016 0.74 CNR2 (0.69) HTTALDH1A1NPSR1MAPTTSHR
SCHEMBL5457675 0.73 HTT (0.54) HTTALDH1A1NPSR1MAPTTSHR
SCHEMBL1752837 0.71 CNR2 (0.64) HTTALDH1A1NPSR1MAPTTSHR
SCHEMBL10919446 0.71 CHRM1 (0.65) LMNAKMT2AKDM4ESMN1; SMN2
Iodide SCHEMBL5565098 0.71 HTT (0.51) HTTALDH1A1NPSR1MAPTTSHR
SCHEMBL5133066 0.70 LMNA (0.72) HTTALDH1A1NPSR1MAPTTSHR
SCHEMBL1442062 0.70 HTT (0.57) HTTALDH1A1NPSR1MAPTTSHR
SCHEMBL1443423 0.70 HTT (0.57) HTTALDH1A1NPSR1MAPTTSHR

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 978/4885NPSR1 4098/4885
US-20070027093-A1 Anorectic DGAT1, DGAT2, GPR119 HTT 1859/4885ALDH1A1 303/4885NPSR1 1201/4885

“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.