SCHEMBL4116189

SCHEMBL4116189

N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MMP13 P45452 2/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP8 P22894 1/20 0.51
SSTR3 P32745 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MMP7 P09237 1/20 0.49
SMYD3 Q9H7B4 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 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
SCHEMBL9701078 1.00 HDAC4 (0.52) HDAC4MMP2MMP9CA12CA1
SCHEMBL4711538 1.00 HDAC4 (0.52) HDAC4MMP2MMP9CA12CA1
SCHEMBL4760506 1.00 HDAC4 (0.52) HDAC4MMP2MMP9CA12CA1
SCHEMBL28037674 0.97 MMP2 (0.52) HDAC4MMP2MMP9CA12CA1
Maleic Acid SCHEMBL10698815 0.93 HDAC4 (0.47) HDAC4MMP2MMP9CA12CA1
SCHEMBL17772442 0.90 SMYD3 (0.50) NPC1RAB9ASMYD3KDM1AMAOA
SCHEMBL775118 0.88 SSTR3 (0.61) MMP2MMP9MMP13SSTR3NPC1
SCHEMBL9539183 0.85 MMP2 (0.53) HDAC4MMP2MMP9CA12CA1
SCHEMBL774564 0.84 MMP2 (0.59) MMP2MMP9MMP13SSTR3NPC1
SCHEMBL22394702 0.84 HDAC4 (0.53) HDAC4MMP2MMP9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 US disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 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 (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-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN HDAC4 1940/4885MMP2 617/4885MMP9 2211/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 HDAC4 316/4885MMP2 395/4885MMP9 811/4885

“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.