SCHEMBL6322818

SCHEMBL6322818

CCOc1ccc(C(CCNCc2ccccc2)c2ccc(OCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.65
KMT2A Q03164 11/20 0.65
MITF O75030 2/20 0.57
CNR1 P21554 2/20 0.57
GPR55 Q9Y2T6 2/20 0.57
CNR2 P34972 2/20 0.57
LMNA P02545 1/20 0.57
GPR35 Q9HC97 1/20 0.57
XBP1 P17861 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
DRD4 P21917 1/20 0.51
TP53 P04637 1/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6322828 0.85 MEN1 (0.86) MEN1KMT2AMITFCNR1GPR55
SCHEMBL9392700 0.84 MEN1 (0.54) MEN1KMT2AMITFCNR1GPR55
SCHEMBL3641265 0.81 KCNH2 (0.69) MEN1KMT2AMITFCNR1HTR1A
SCHEMBL9594129 0.78 DRD4 (0.53) MEN1KMT2AL3MBTL1DRD4TP53
SCHEMBL6328687 0.77 MEN1 (0.80) MEN1KMT2A
SCHEMBL9391296 0.77 LTA4H (0.52) MEN1KMT2AMITFLMNANPSR1
SCHEMBL9662279 0.77 LMNA (0.71) MEN1KMT2AMITFCNR1GPR55
SCHEMBL6327377 0.77 MEN1 (0.73) MEN1KMT2AMITFCNR1GPR55
SCHEMBL7608267 0.76 MEN1 (0.68) MEN1KMT2AMITFCNR1GPR55
SCHEMBL30433738 0.76 MEN1 (0.57) MEN1KMT2AMITFCNR1GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 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 (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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MEN1 3533/4885KMT2A 3075/4885MITF 2502/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MEN1 3327/4885KMT2A 3010/4885MITF 2858/4885

“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.