SCHEMBL2551432

SCHEMBL2551432

Nc1ccc(N2CCC(NC(=O)O)C2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
IP6K1 Q92551 1/20 0.39
NAMPT P43490 1/20 0.39
LGMN Q99538 1/20 0.39
NOTUM Q6P988 5/20 0.39
SCD5 Q86SK9 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP30 Q70CQ3 3/20 0.37
MCHR1 Q99705 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ME3 Q16798 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MDM4 O15151 1/20 0.35

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
SCHEMBL26695646 0.85 MTNR1A (0.41) MTNR1AMTNR1BNAMPTNOTUMSCD5
SCHEMBL26695653 0.85 MTNR1A (0.41) MTNR1AMTNR1BNAMPTNOTUMSCD5
SCHEMBL15092142 0.83 SUV39H2 (0.48) HDAC1
SCHEMBL15092141 0.83 SUV39H2 (0.48) HDAC1
SCHEMBL3714394 0.82 NAMPT (0.46) MTNR1AMTNR1BNAMPTNOTUMSCD5
SCHEMBL2552624 0.81 MAPT (0.44) MTNR1AMTNR1B
SCHEMBL2552625 0.81 MAPT (0.44) MTNR1AMTNR1B
SCHEMBL25340945 0.80 CCR2 (0.41) MTNR1AMTNR1BLGMNUSP30
SCHEMBL1749531 0.79 MAPT (0.44) LGMN
SCHEMBL20507686 0.77 HRH4 (0.45) MTNR1AMTNR1BSCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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 (2 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 MTNR1A 4842/4885MTNR1B 4727/4885IP6K1 155/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 MTNR1A 4842/4885MTNR1B 4727/4885IP6K1 155/4885

“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.