SCHEMBL13107110

SCHEMBL13107110

CN(C)C[C@@H](Oc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL13122483 1.00 MAPT (0.45) MAPTHDAC4HDAC6USP30JAK2
SCHEMBL13122674 1.00 MAPT (0.45) MAPTHDAC4HDAC6USP30JAK2
SCHEMBL13107109 1.00 MAPT (0.45) MAPTHDAC4HDAC6USP30JAK2
SCHEMBL13106854 0.86 MAPT (0.44) MAPTHDAC4HDAC6USP30GPR119
SCHEMBL9108220 0.85 MMP13 (0.45) MAPTGPR119MMP13TACR1ALDH1A1
SCHEMBL9108211 0.85 MMP13 (0.45) MAPTGPR119MMP13TACR1ALDH1A1
SCHEMBL9110045 0.84 DPP4 (0.45) MAPTGPR119MMP13TACR1SCN9A
SCHEMBL9110055 0.84 DPP4 (0.45) MAPTGPR119MMP13TACR1SCN9A
SCHEMBL13400337 0.84 MAPT (0.49) MAPTHDAC4HDAC6USP30GPR119
SCHEMBL1689415 0.83 MMP13 (0.43) MAPTGPR119MMP13TACR1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 — — US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 — — US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 — — US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 — — US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 — — 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-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 MAPT 386/4885HDAC4 4506/4885HDAC6 2636/4885

“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.

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