SCHEMBL21950433

SCHEMBL21950433

COC(=O)[C@H](COC(=O)c1ccncc1)NC(=O)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.52
▸ ADRB1 P08588 1/20 0.52
▸ ADRB3 P13945 1/20 0.52
▸ CYP26A1 O43174 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TAS1R3 Q7RTX0 5/20 0.44
▸ TAS1R1 Q7RTX1 5/20 0.44
▸ MPO P05164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42

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
SCHEMBL31248369 0.85 ALDH1A1 (0.54) ADRB2ADRB1ADRB3CYP26A1L3MBTL1
SCHEMBL29788361 0.84 CYP26A1 (0.49) CYP26A1L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL7948541 0.81 CYP26A1 (0.47) CYP26A1L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL7905129 0.76 LNPEP (0.57) L3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL6093237 0.75 GAA (0.64) CYP26A1ALDH1A1CYP2C19
SCHEMBL27822263 0.75 ALDH1A1 (0.53) L3MBTL1KDM4EALDH1A1MPOCYP1A2
SCHEMBL11640564 0.75 ADRB2 (0.59) ADRB2ADRB1ADRB3L3MBTL1KDM4E
SCHEMBL14755265 0.74 CYP26A1 (0.55) CYP26A1L3MBTL1TAS1R3TAS1R1CYP3A4
Hydrochloric Acid SCHEMBL8133315 0.74 GAA (0.62) CYP26A1ALDH1A1CYP2C19
SCHEMBL23303748 0.73 TAS1R3 (0.60) L3MBTL1ALDH1A1TAS1R3TAS1R1CYP2C19

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-11136295-B2 D-amphetamine compounds, compositions, and processes for making and using the same KEMPHARM, INC. (US) 2021-10-05 — — US disclosed
US-20200131130-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2020-04-30 — — 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 (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-20200131130-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME DDT, COMT, DDC ADRB2 728/4885ADRB1 450/4885ADRB3 391/4885
US-11136295-B2 D-amphetamine compounds, compositions, and processes for making and using the same DDT, COMT, DDC ADRB2 728/4885ADRB1 450/4885ADRB3 391/4885

“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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