SCHEMBL6328367

SCHEMBL6328367

COc1ccc(C(CC2(O)CCCC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.51
SLC6A4 P31645 5/20 0.51
SLC6A3 Q01959 5/20 0.51
LMNA P02545 1/20 0.51
CNR1 P21554 1/20 0.51
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8038690 0.83 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL3347205 0.83 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
Hydrochloric Acid SCHEMBL3930855 0.81 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL2761798 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8038699 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8028828 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8040630 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4967524 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL902225 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4453832 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3LMNACNR1

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 SLC6A2 341/4885SLC6A4 1513/4885SLC6A3 366/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SLC6A2 335/4885SLC6A4 1572/4885SLC6A3 366/4885

“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.