SCHEMBL17485216

SCHEMBL17485216

CCOC(=O)[C@H]1CNCC[C@H]1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HTR2C P28335 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ EPHX1 P07099 1/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SLC18A2 Q05940 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ REN P00797 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR4 P31391 1/20 0.38

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
SCHEMBL17485278 0.87 MAPT (0.54) PKMMAPTHTR2CPOLBSLC6A2
SCHEMBL17485214 0.86 MAPT (0.57) PKMMAPTHTR2CSLC6A2SLC6A4
SCHEMBL17486610 0.86 MAPT (0.57) PKMMAPTHTR2CSLC6A2SLC6A4
SCHEMBL17485167 0.86 MAPT (0.59) PKMMAPTRENCYP3A4KCNH2
SCHEMBL17486620 0.86 MAPT (0.59) PKMMAPTRENCYP3A4KCNH2
SCHEMBL17485168 0.84 MAPT (0.60) PKMMAPTSLC6A3RENCYP3A4
SCHEMBL7674961 0.84 MAPT (0.60) PKMMAPTSLC6A3SLC18A2CYP3A4
SCHEMBL17485211 0.84 MAPT (0.60) PKMMAPTSLC6A3SLC18A2CYP3A4
SCHEMBL7674949 0.84 MAPT (0.60) PKMMAPTSLC6A3SLC18A2CYP3A4
SCHEMBL17485186 0.84 MAPT (0.60) PKMMAPTSLC6A3SLC18A2CYP3A4

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-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 — — US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 — — US disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 — — US disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 — — US disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 — — US disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 — — US disclosed
WO-2016019312-A2 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-02-04 — — 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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 PKM 809/4885MAPT 259/4885HTR2C 83/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 PKM 809/4885MAPT 259/4885HTR2C 83/4885

“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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