SCHEMBL5142012

SCHEMBL5142012

CN(C)C(=O)COc1ccc2c(c1)CC(N(Cc1ccccc1)C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
RAB9A P51151 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDK2 Q15119 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL5143634 0.92 ALOX15 (0.48) HSD11B1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5142020 0.90 ADRB3 (0.46) HSD11B1TRPM8ALOX15TSHRHSD17B10
SCHEMBL5142047 0.87 MAPT (0.48) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5143748 0.87 HSD11B1 (0.41) HSD11B1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5146713 0.85 HSD11B1 (0.42) HSD11B1
SCHEMBL5146657 0.84 HDAC8 (0.43) MEN1KMT2ASMN1; SMN2TSHRHDAC8
SCHEMBL7753599 0.84 HSD11B1 (0.42) HSD11B1
SCHEMBL5142024 0.84 DRD2 (0.43) HSD11B1
SCHEMBL5143973 0.83 DRD2 (0.46) HSD11B1MEN1KMT2AMAPT
SCHEMBL5145400 0.82 HSD11B1 (0.44) HSD11B1

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-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP HSD11B1 1317/4885RAB9A 2413/4885MEN1 1043/4885

“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.