SCHEMBL6319571

SCHEMBL6319571

CC(CC(c1ccc(O)cc1)c1ccc(O)cc1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
ADRA1A P35348 4/20 0.50
OPRK1 P41145 3/20 0.50
SLC6A3 Q01959 3/20 0.50
KCNH2 Q12809 3/20 0.50
MAPK1 P28482 3/20 0.50
HIF1A Q16665 3/20 0.50
ADRA2B P18089 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
SLC6A2 P23975 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRA2C P18825 1/20 0.50

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
SCHEMBL6320442 1.00 SIGMAR1 (0.54) SIGMAR1ADRA1AOPRK1SLC6A3KCNH2
Hydrochloric Acid SCHEMBL9396049 0.98 SIGMAR1 (0.53) SIGMAR1ADRA1AOPRK1SLC6A3KCNH2
SCHEMBL580415 0.81 POLB (0.60) SIGMAR1ADRA1AOPRK1SLC6A3KCNH2
SCHEMBL9391350 0.81 POLB (0.42) SIGMAR1ADRA1AOPRK1SLC6A3KCNH2
SCHEMBL6321458 0.81 TDP1 (0.55) SIGMAR1MEN1KMT2ABCHE
SCHEMBL6321423 0.81 TDP1 (0.55) SIGMAR1MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL9396042 0.80 TDP1 (0.53) SIGMAR1MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL6324407 0.80 TDP1 (0.53) SIGMAR1MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL6322170 0.80 TDP1 (0.53) SIGMAR1MEN1KMT2ABCHE
SCHEMBL10005270 0.80 SIGMAR1 (0.79) SIGMAR1OPRK1MAPK1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-6677368-B2 4-aryl substituted indolinones SUGEN, INC. 2004-01-13 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
WO-1994025427-A1 ETHANOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-10 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 SIGMAR1 634/4885ADRA1A 4/4885OPRK1 53/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SIGMAR1 465/4885ADRA1A 4/4885OPRK1 49/4885

“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.