SCHEMBL14906223

SCHEMBL14906223

O=C(CO)C(c1ccccc1)C1CCCCN1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.70
SLC6A2 P23975 6/20 0.70
SLC6A4 P31645 4/20 0.70
DHFR P00374 1/20 0.65
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL12904188 1.00 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL10101580 0.85 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL12550069 0.85 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL20850913 0.85 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL1462581 0.85 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL16700055 0.85 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6099068 0.85 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL14453321 0.85 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL2988020 0.84 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL14453323 0.82 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723589-B2 Reversal of general anesthesia by administration of methylphenidate, amphetamine, modafinil, amantadine, and/or caffeine THE GENERAL HOSPITAL CORPORATION (US) 2023-08-15 US disclosed
US-20130310422-A1 REVERSAL OF GENERAL ANESTHESIA BY ADMINISTRATION OF METHYLPHENIDATE, AMPHETAMINE, MODAFINIL, AMANTADINE, AND/OR CAFFEINE THE GENERAL HOSPITAL CORPORATION (US) 2013-11-21 US disclosed
US-20130109719-A1 METHOD OF TREATING ATTENTION DEFICIT DISORDERS WITH D-THREO METHYLPHENIDATE ZEITLIN ANDREW L (US) 2013-05-02 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 (3 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-11723589-B2 Reversal of general anesthesia by administration of methylphenidate, amphetamine, modafinil, amantadine, and/or caffeine ACHE, ADORA2A, COMT SLC6A3 188/4885SLC6A2 112/4885SLC6A4 393/4885
US-20130109719-A1 METHOD OF TREATING ATTENTION DEFICIT DISORDERS WITH D-THREO METHYLPHENIDATE SLC6A3, COMT, SLC6A4 SLC6A3 1/4885SLC6A2 4/4885SLC6A4 3/4885
US-20130310422-A1 REVERSAL OF GENERAL ANESTHESIA BY ADMINISTRATION OF METHYLPHENIDATE, AMPHETAMINE, MODAFINIL, AMANTADINE, AND/OR CAFFEINE ACHE, ADORA2A, ADORA1 SLC6A3 259/4885SLC6A2 149/4885SLC6A4 360/4885

“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.