SCHEMBL669964

SCHEMBL669964

CC(=O)NC1CCN(CC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 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
SCHEMBL14527915 0.87 LTA4H (0.43) LTA4HDRD2DRD3ALDH1A1PKM
SCHEMBL1467843 0.83 ALDH1A1 (0.37) HSD17B10ALDH1A1PKMCARM1PRMT6
SCHEMBL659496 0.82 LTA4H (0.49) LTA4HDRD2DRD3CARM1PRMT6
SCHEMBL4681639 0.81 LTA4H (0.44) LTA4HDRD2DRD3ALDH1A1
SCHEMBL12337290 0.81 EPHX1 (0.54) LTA4HALDH1A1KMT2A
SCHEMBL4681635 0.81 LTA4H (0.44) LTA4HDRD2DRD3ALDH1A1
SCHEMBL12336352 0.81 HSD17B10 (0.44) HSD17B10ALDH1A1PKMCARM1PRMT6
SCHEMBL25160376 0.81 ALDH1A1 (0.50) LTA4HALDH1A1PKMNPC1RAB9A
SCHEMBL17937109 0.80 KDM4E (0.43) DRD3ALDH1A1NPC1RAB9AKMT2A
SCHEMBL20194151 0.79 LTA4H (0.43) LTA4HDRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR LTA4H 160/4885DRD2 2283/4885DRD3 2074/4885

“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.