SCHEMBL5143909

SCHEMBL5143909

CCCCN(O)C(=O)C[O]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 11/20 0.47
KDM4C Q9H3R0 10/20 0.47
PHF8 Q9UPP1 4/20 0.44
KDM4A O75164 2/20 0.44
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL5145387 0.85
SCHEMBL8815683 0.83 KDM5A (0.48) KDM5AKDM4CPHF8KDM4AKDM5C
SCHEMBL21389643 0.81 KDM5A (0.56) KDM5AKDM4CPHF8KDM4AKDM5C
SCHEMBL28307831 0.79 KDM5A (0.66) KDM5AKDM4CPHF8KDM4AKDM5C
SCHEMBL4897891 0.79 KDM5A (0.46) KDM5AKDM4CPHF8KDM4AKDM5C
SCHEMBL542743 0.78 CA12 (0.54) CA12CA1CA9ALDH1A1MMP1
SCHEMBL5141994 0.76 ALDH1A1 (0.44) KDM5AKDM4CPHF8KDM4ACA12
SCHEMBL4897985 0.76 KDM5A (0.51) KDM5AKDM4CPHF8KDM4AKDM5C
SCHEMBL22211259 0.76 KDM5A (0.56) KDM5AKDM4CPHF8KDM4AKDM5C
SCHEMBL11277722 0.75

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-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
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP 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 (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 KDM5A 1402/4885KDM4C 2790/4885PHF8 2506/4885

“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.