SCHEMBL7797107

SCHEMBL7797107

CC(C)(C)OC(=O)C(Nc1ccccc1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 2/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
OPRD1 P41143 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
EPHX2 P34913 1/20 0.35
JAK3 P52333 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
SCHEMBL7493504 0.87 MAPT (0.41) NPR3MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL7496595 0.85 NPR3 (0.42) NPR3MAPTKMT2AEPHX2JAK3
SCHEMBL7497258 0.85 NPR3 (0.42) NPR3MAPTKMT2AEPHX2JAK3
SCHEMBL8703070 0.81 ITGA4 (0.42) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7298273 0.78 MMP1 (0.36) NPR3MMP1MMP2MMP3MMP7
SCHEMBL5870658 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KMT2AMAPK1
Iodide SCHEMBL4792332 0.77 OPRD1 (0.36) SLC6A2SLC6A4SLC6A3GPR119OPRD1
Iodide SCHEMBL4349226 0.77 OPRD1 (0.36) SLC6A2SLC6A4SLC6A3GPR119OPRD1
SCHEMBL4495623 0.76 RIPK1 (0.42)
SCHEMBL28421313 0.75 NPR3 (0.55) NPR3MMP13MAPTKMT2AGPR119

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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 US disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 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 (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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 NPR3 737/4885MMP1 1988/4885MMP2 3246/4885

“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.