SCHEMBL4606848

SCHEMBL4606848

COc1cc2c(cc1OC)C(CN1CCOCC1)OCC2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
KCNN2 Q9H2S1 4/20 0.42
KCNN3 Q9UGI6 4/20 0.42
KCNN1 Q92952 2/20 0.42
MAOA P21397 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.41
RAD52 P43351 1/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 2/20 0.39

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
SCHEMBL7289317 0.87 MAOA (0.42) KCNN2KCNN3KCNN1MAOALMNA
SCHEMBL10994941 0.84 ABCB1 (0.42) KCNN2KCNN3KCNN1MAOALMNA
SCHEMBL296779 0.83 MTNR1A (0.40) HTT
SCHEMBL10993273 0.83 KCNN2 (0.44) KCNN2KCNN3KCNN1MAOALMNA
Hydrochloric Acid SCHEMBL10993157 0.83 MAOA (0.44) KCNN2KCNN3KCNN1MAOALMNA
SCHEMBL10993103 0.83 ABCB1 (0.41) BCHEACHEKCNN2KCNN3KCNN1
SCHEMBL7291340 0.82 BCHE (0.50) BCHEACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL10990748 0.82 MAOA (0.46) KCNN2KCNN3KCNN1MAOALMNA
Hydrochloric Acid SCHEMBL10992437 0.82 MAOA (0.43) BCHEACHEKCNN2KCNN3KCNN1
SCHEMBL2898321 0.80 HTR2A (0.41) RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP claimed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP claimed
US-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-29 US claimed
US-20060014709-A1 Drug or cosmetic ISHIBASHI MICHIO 2006-01-19 US claimed
EP-1541174-A1 DRUG OR COSMETIC Ishibashi, Michio (JP) 2005-06-15 EP claimed
EP-1950563-A2 Method for screening for a substance for promoting regeneration of macrophages Ishibashi, Michio (JP) 2008-07-30 EP disclosed
EP-1950563-A2 Method for screening for a substance for promoting regeneration of macrophages Ishibashi, Michio (JP) 2008-07-30 EP disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1917247-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-07 EP disclosed
US-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-29 US disclosed
WO-2007009689-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
US-20060014709-A1 Drug or cosmetic ISHIBASHI MICHIO 2006-01-19 US disclosed
EP-1541174-A1 DRUG OR COSMETIC Ishibashi, Michio (JP) 2005-06-15 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 (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-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments P2RX4, PIR, P2RY4 BCHE 1843/4885ACHE 570/4885KCNN2 935/4885
US-20060014709-A1 Drug or cosmetic CTSA, MSR1, CD68 BCHE 1498/4885ACHE 744/4885KCNN2 4009/4885

“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.