Sugi Predict

Sugi Predict / Compounds / SCHEMBL523547

SCHEMBL523547

SCHEMBL523547

C[C@H]([C@@H](O)c1ccccc1)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 6/20 0.54
▸ KCNH2 Q12809 6/20 0.54
▸ GRIN2B Q13224 6/20 0.54
▸ GRIN1 Q05586 4/20 0.54
▸ GRIN2D O15399 3/20 0.54
▸ GRIN2A Q12879 3/20 0.54
▸ GRIN2C Q14957 3/20 0.54
▸ GRIN3B O60391 2/20 0.54
▸ GRIN3A Q8TCU5 2/20 0.54
▸ CYP1A2 P05177 5/20 0.53
▸ CYP3A4 P08684 5/20 0.53
▸ CYP2C9 P11712 4/20 0.53
▸ KCNA5 P22460 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ KCNE1 P15382 1/20 0.52
▸ ADRA2A P08913 5/20 0.51
▸ HTR2A P28223 5/20 0.51
▸ ADRA1A P35348 5/20 0.51
▸ HTR2B P41595 4/20 0.51
▸ SIGMAR1 Q99720 3/20 0.51

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
SCHEMBL21758873 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL2699322 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL21093474 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL2714074 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL597166 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL2714385 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL2712368 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL21093519 0.98 CYP2D6 (0.55) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
Hydrochloric Acid SCHEMBL8002216 0.98 CYP2D6 (0.52) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL2712934 0.98 CYP2D6 (0.55) CYP2D6KCNH2GRIN2BGRIN1GRIN2D

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 — — CN claimed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 — — CN claimed
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 — — EP claimed
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 — — CN disclosed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 — — CN disclosed
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 — — EP disclosed
EP-2627643-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES BRISTOL MYERS SQUIBB CO (US) 2016-11-23 — — EP disclosed
US-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols BRISTOL MYERS SQUIBB CO (US) 2016-11-10 — — US disclosed
WO-2015063795-A2 NOVEL PROCESS FOR PREPARATION OF OPTICALLY PURE NOREPHEDRINE AND ITS DERIVATIVES LAURUS LABS PRIVATE LIMITED (IN) 2015-05-07 — — WO disclosed
US-8969550-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-03-03 — — US disclosed
US-8957204-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-02-17 — — US disclosed
US-20110160463-A1 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES AMGEN INC. 2011-06-30 — — US disclosed
US-20110160463-A1 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES AMGEN INC. 2011-06-30 — — US disclosed
US-20110009648-A1 Carbonyl Asymmetric Alkylation SANDOZ AG (CH) 2011-01-13 — — US disclosed
US-20110009648-A1 Carbonyl Asymmetric Alkylation SANDOZ AG (CH) 2011-01-13 — — US disclosed
US-20100280255-A1 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES AMGEN INC. (US) 2010-11-04 — — US disclosed
US-20100280255-A1 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES AMGEN INC. (US) 2010-11-04 — — US disclosed
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 — — US disclosed
WO-2010008729-A2 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES AMGEN INC. (US) 2010-01-21 — — WO disclosed
WO-2009002445-A1 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES AMGEN INC. (US) 2008-12-31 — — 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 (4 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-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols ADH1C, ADH1A, ADH5 CYP2D6 622/4885KCNH2 3738/4885GRIN2B 2053/4885
US-20100280255-A1 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES HSD11B1, HSD11B2, HSD17B1 CYP2D6 94/4885KCNH2 2582/4885GRIN2B 761/4885
US-20110009648-A1 Carbonyl Asymmetric Alkylation COASY, ADH5, SI CYP2D6 24/4885KCNH2 2212/4885GRIN2B 371/4885
US-20110160463-A1 PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES HSD11B1, HSD11B2, HSD17B1 CYP2D6 96/4885KCNH2 2176/4885GRIN2B 643/4885

“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.