SCHEMBL5143604

SCHEMBL5143604

O=C(Nc1ccc(O)cn1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 7/20 0.65
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ROCK2 O75116 1/20 0.49
MGLL Q99685 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
GCK P35557 1/20 0.47
MIF P14174 1/20 0.47
P2RX7 Q99572 1/20 0.47
TSHR P16473 1/20 0.47
FSHR P23945 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7090892 0.86 POLB (0.52) DEGS1POLBNPC1RAB9AROCK2
SCHEMBL22607251 0.86 RAB9A (0.59) DEGS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL24616597 0.85 SMN1; SMN2 (0.54) DEGS1POLBNPC1RAB9AROCK2
SCHEMBL31307412 0.85 POLB (0.51) DEGS1POLBNPC1RAB9AROCK2
SCHEMBL23608334 0.85 POLB (0.51) DEGS1POLBNPC1RAB9AROCK2
SCHEMBL7095081 0.83 GCK (0.52) DEGS1POLBNPC1RAB9AROCK2
SCHEMBL22607138 0.82 MEN1 (0.49) DEGS1POLBNPC1RAB9AROCK2
SCHEMBL18216846 0.82 TRPV1 (0.52) DEGS1POLBNPC1RAB9AROCK2
SCHEMBL29777588 0.82 POLB (0.61) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL31725228 0.81 MAPK1 (0.50) DEGS1POLBNPC1RAB9AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 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
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 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
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 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-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 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 (3 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 DEGS1 286/4885POLB 995/4885NPC1 4266/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 DEGS1 180/4885POLB 993/4885NPC1 4169/4885
US-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP DEGS1 789/4885POLB 1386/4885NPC1 3445/4885

“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.