SCHEMBL6322828

SCHEMBL6322828

COc1ccc(C(CCNCc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.86
KMT2A Q03164 12/20 0.86
GPR55 Q9Y2T6 3/20 0.76
HTT P42858 3/20 0.76
CNR1 P21554 2/20 0.76
LMNA P02545 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
MAPK1 P28482 2/20 0.76
MITF O75030 2/20 0.76
CNR2 P34972 1/20 0.76
GPR35 Q9HC97 1/20 0.76
XBP1 P17861 1/20 0.76
SMN1; SMN2 Q16637 2/20 0.66
TP53 P04637 2/20 0.66
HTR1A P08908 2/20 0.66
HTR7 P34969 2/20 0.66
HTR6 P50406 2/20 0.66
ALDH1A1 P00352 1/20 0.65
BLM P54132 1/20 0.65
CASR P41180 1/20 0.59

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
SCHEMBL6327377 0.91 MEN1 (0.73) MEN1KMT2AGPR55HTTCNR1
SCHEMBL9672979 0.87 MEN1 (0.67) MEN1KMT2AGPR55HTTCNR1
SCHEMBL17221926 0.87 MEN1 (1.00) MEN1KMT2AGPR55HTTCNR1
SCHEMBL6322818 0.85 MEN1 (0.65) MEN1KMT2AGPR55HTTCNR1
SCHEMBL7649318 0.84 MEN1 (0.63) MEN1KMT2AGPR55HTTCNR1
SCHEMBL3641265 0.83 KCNH2 (0.69) MEN1KMT2ACNR1MITFHTR1A
Hydrochloric Acid SCHEMBL7606946 0.83 MEN1 (0.62) MEN1KMT2AGPR55HTTCNR1
SCHEMBL14433589 0.81 BACE1 (0.70) MEN1KMT2AGPR55HTTCNR1
SCHEMBL17339769 0.80 MEN1 (0.62) MEN1KMT2AGPR55HTTCNR1
SCHEMBL1279045 0.79 HTT (0.73) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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 6 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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP 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-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO 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 3075/4885GPR55 78/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MEN1 3327/4885KMT2A 3010/4885GPR55 96/4885

“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.