SCHEMBL15412949

SCHEMBL15412949

CCCCNc1ccc(C(=O)OCCN(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.65
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
PKM P14618 2/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
HCAR3 P49019 4/20 0.65
PTGER4 P35408 1/20 0.62
LMNA P02545 3/20 0.61
CYP1A2 P05177 1/20 0.61
MAOA P21397 1/20 0.61
CNR1 P21554 1/20 0.61
DRD4 P21917 1/20 0.61
ACHE P22303 1/20 0.61
HRH2 P25021 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
MAPK1 P28482 1/20 0.61
NTSR1 P30989 1/20 0.61

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
SCHEMBL15412105 0.96 HCAR3 (0.64) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL7972061 0.87 MAPT (0.75) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL22382490 0.84 MAPT (0.78) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL15412765 0.83 LMNA (0.68) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL9043097 0.83 MAPT (0.84) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL15413013 0.82 LMNA (0.67) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL15321333 0.82 MAPT (0.82) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL15412512 0.81 SCN1A (0.65) MAPTALDH1A1RAB9APTGER4LMNA
SCHEMBL9192588 0.81 HCAR3 (0.77) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL9725412 0.81 ALDH1A1 (0.63) MAPTALDH1A1RAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458102-B2 Derivatives of tetracaine OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-10-04 US disclosed
US-9458102-B2 Derivatives of tetracaine OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-10-04 US disclosed
US-9458102-B2 Derivatives of tetracaine OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-10-04 US disclosed
US-20140018422-A1 DERIVATIVES OF TETRACAINE WILLAMETTE UNIVERSITY (US) 2014-01-16 US disclosed
US-20140018422-A1 DERIVATIVES OF TETRACAINE WILLAMETTE UNIVERSITY (US) 2014-01-16 US disclosed
US-20140018422-A1 DERIVATIVES OF TETRACAINE WILLAMETTE UNIVERSITY (US) 2014-01-16 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-20140018422-A1 DERIVATIVES OF TETRACAINE CACNA1G, CACNA1H, CACNA1I MAPT 1590/4885ALDH1A1 3006/4885RAB9A 1155/4885

“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.