SCHEMBL6928896

SCHEMBL6928896

NC(=O)CN[C@H]1CC1c1ccc(OCc2cccc(Br)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.70
MAOB P27338 11/20 0.70
MAOA P21397 10/20 0.70
PARP15 Q460N3 2/20 0.56
PARP10 Q53GL7 2/20 0.56
PARP14 Q460N5 1/20 0.56
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 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
SCHEMBL1667563 1.00 KDM1A (0.70) KDM1AMAOBMAOAPARP15PARP10
SCHEMBL1667565 1.00 KDM1A (0.70) KDM1AMAOBMAOAPARP15PARP10
SCHEMBL13453280 0.90 KDM1A (0.66) KDM1AMAOBMAOAPARP15PARP10
SCHEMBL1667767 0.90 KDM1A (0.66) KDM1AMAOBMAOAPARP15PARP10
SCHEMBL1667765 0.90 KDM1A (0.66) KDM1AMAOBMAOAPARP15PARP10
SCHEMBL1667526 0.89 KDM1A (0.65) KDM1AMAOBMAOAPARP15PARP10
Hydrochloric Acid SCHEMBL1669886 0.89 KDM1A (0.65) KDM1AMAOBMAOAPARP15PARP10
SCHEMBL13453291 0.89 KDM1A (0.65) KDM1AMAOBMAOAPARP15PARP10
Hydrochloric Acid SCHEMBL1669884 0.89 KDM1A (0.65) KDM1AMAOBMAOAPARP15PARP10
SCHEMBL1667524 0.89 KDM1A (0.65) KDM1AMAOBMAOAPARP15PARP10

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-8946296-B2 Substituted heteroaryl- and aryl-cyclopropylamine acetamides and their use ORYZON GENOMICS S.A. (ES) 2015-02-03 US disclosed
US-8946296-B2 Substituted heteroaryl- and aryl-cyclopropylamine acetamides and their use ORYZON GENOMICS S.A. (ES) 2015-02-03 US disclosed
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 US disclosed
WO-2011042217-A1 SUBSTITUTED HETEROARYL- AND ARYL- CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. (ES) 2011-04-14 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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 KDM1A 877/4885MAOB 569/4885MAOA 555/4885

“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.