SCHEMBL6294864

SCHEMBL6294864

O=C(N1CCN(CCCOc2ccc(F)cc2)CC1)N1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.57
HRH1 P35367 4/20 0.56
HTR1A P08908 4/20 0.56
DRD2 P14416 4/20 0.56
HTR2A P28223 4/20 0.56
DRD3 P35462 4/20 0.56
HTR7 P34969 2/20 0.56
HTR2B P41595 1/20 0.56
CACNA1B Q00975 2/20 0.53
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HRH2 P25021 1/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CACNA1H O95180 1/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
DRD1 P21728 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL6300842 0.95 KCNA5 (0.53) HTR5AHRH1HTR1ADRD2HTR2A
SCHEMBL9809263 0.81 USP2 (0.72) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL9809294 0.79 HRH1 (0.64) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL9809418 0.78 HRH3 (0.64) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL9809235 0.77 HRH1 (0.63) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL9809336 0.76 HRH1 (0.66) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL4229899 0.76 CACNA1B (0.76) CACNA1BALDH1A1CACNA1HHPGDSMN1; SMN2
SCHEMBL5564121 0.76 NPC1 (0.56) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL9809297 0.75 HRH1 (0.63) HRH1HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL4228835 0.75 CACNA1B (0.74) CACNA1BALDH1A1CACNA1HHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908922-B2 Anticholesterol agents; cardiovascular disorders LES LABORATOIRES SERVIER (FR) 2005-06-21 US disclosed
US-6903103-B2 Linear cyclic ureas LES LABORATORIES SERVIER (FR) 2005-06-07 US disclosed
US-6780868-B2 TREATMENT OF MYOCARDIAL OR PERIPHERAL ISCHAEMIA, CARDIAC INSUFFICIENCY OR PULMONARY ARTERIAL HYPERTENSION LES LABORATOIRES SERVIER (FR) 2004-08-24 US disclosed
US-20030229100-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-11 US disclosed
US-20030225105-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-04 US disclosed
US-20030191132-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-10-09 US disclosed
US-20010009911-A1 New linear or cyclic ureas LES LABORATOIRES SERVIER (FR) 2001-07-26 US disclosed
EP-1113014-A1 Linear or cyclic ureas, a process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-04 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 (4 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-20010009911-A1 New linear or cyclic ureas GUCY1B1, UACA, LIPG HTR5A 2563/4885HRH1 1105/4885HTR1A 1343/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR5A 2442/4885HRH1 894/4885HTR1A 1186/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR5A 2442/4885HRH1 894/4885HTR1A 1186/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 HTR5A 2442/4885HRH1 894/4885HTR1A 1186/4885

“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.