Sugi Predict

Sugi Predict / Compounds / SCHEMBL2380649

SCHEMBL2380649

SCHEMBL2380649

CC(=O)C(C)C1CNCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 11/20 0.38
▸ SLC6A4 P31645 10/20 0.38
▸ SLC6A3 Q01959 6/20 0.35
▸ SSTR4 P31391 2/20 0.34
▸ REN P00797 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL1206581 0.85 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
Hydrochloric Acid SCHEMBL17111268 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL9398208 0.84 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SSTR4REN
SCHEMBL27694279 0.84 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SSTR4REN
Hydrochloric Acid SCHEMBL31293114 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27627776 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3SSTR4
Hydrochloric Acid SCHEMBL21838844 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SSTR4REN
SCHEMBL3768596 0.79 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL49735 0.76 — —
SCHEMBL197401 0.76 — —

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
CN-113861752-A Photosensitive ink 惠州市兴顺和电子有限公司 2021-12-31 — — CN claimed
CN-107473969-B Method for manufacturing substrate having liquid crystal alignment film for horizontal electric field drive type liquid crystal display element 日产化学工业株式会社 2020-10-16 — — CN disclosed
US-8017776-B2 Methods for synthesis of acyloxyalkyl compounds XENOPORT, INC. (US) 2011-09-13 — — US disclosed
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2010-02-18 — — US disclosed
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 — — US disclosed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 — — US disclosed
WO-2005010011-A2 METHODS OF SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2005-02-03 — — 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-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 SLC6A2 605/4885SLC6A4 500/4885SLC6A3 479/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 SLC6A2 605/4885SLC6A4 500/4885SLC6A3 479/4885

“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.