Sugi Predict

Sugi Predict / Compounds / SCHEMBL597166

SCHEMBL597166

SCHEMBL597166

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
SCHEMBL2714385 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL2712368 1.00 CYP2D6 (0.54) CYP2D6KCNH2GRIN2BGRIN1GRIN2D
SCHEMBL523547 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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134335-B Method for preparing chiral (1R,2S) -1-phenyl-2- (1-pyrrolidinyl) propane-1-alcohol 苏州引航生物科技有限公司 2022-05-17 — — CN claimed
CN-108947855-B Synthesis method of efavirenz key intermediate 江苏沙星化工有限公司 2021-10-22 — — CN 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 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
CN-111548317-A Efavirenz synthesis method and method for preparing intermediate thereof 苏州纪元康生物科技有限公司 2020-08-18 — — CN claimed
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 — — EP claimed
EP-2448917-A2 METHOD FOR THE ENANTIOSELECTIVE ADDITION OF ORGANOMETALLIC CARBON NUCLEOPHILES TO TRIFLUOROMETHYL KETONES AND USE OF THE METHOD IN THE SYNTHESIS OF HIV REVERSE TRANSCRIPTASE INHIBITORS Archimica GmbH (DE) 2012-05-09 — — EP claimed
WO-2011000532-A2 METHOD FOR THE ENANTIOSELECTIVE ADDITION OF ORGANOMETALLIC CARBON NUCLEOPHILES TO TRIFLUOROMETHYL KETONES AND USE OF THE METHOD IN THE SYNTHESIS OF HIV REVERSE TRANSCRIPTASE INHIBITORS ARCHIMICA GMBH (DE) 2011-01-06 — — WO claimed
EP-0973737-A4 EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR MERCK & CO INC (US) 2000-04-26 — — EP claimed
EP-0973737-A1 EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR Merck & Co., Inc. (US) 2000-01-26 — — EP claimed
WO-1998030540-A1 EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR MERCK & CO., INC. (US) 1998-07-16 — — WO claimed
EP-4584261-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2025-07-16 — — EP disclosed
CN-120166990-A Alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2025-06-17 — — CN disclosed
US-20240158404-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-05-16 — — US disclosed
WO-2024054624-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-03-14 — — WO disclosed
EP-0981520-A1 EFFICIENT ENANTIOSELECTIVE ADDITION REACTION USING AN ORGANOZINC REAGENT Merck & Co., Inc. (US) 2000-03-01 — — EP disclosed
EP-0973737-A1 EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR Merck & Co., Inc. (US) 2000-01-26 — — EP disclosed
US-6015926-A ADDING DIALKYLZINC TO CHIRAL ADDITIVE, ADDING SECOND ADDITIVE TO FORM CHIRAL ZINC COMPLEX, MIXING WITH ORGANOMETALLIC REAGENT, REACTING WITH CARBONYL COMPOUND TO FORM DESIRED ALCOHOL MERCK & CO., INC. (US) 2000-01-18 — — US disclosed
WO-1998051676-A1 EFFICIENT ENANTIOSELECTIVE ADDITION REACTION USING AN ORGANOZINC REAGENT MERCK & CO., INC. (US) 1998-11-19 — — WO disclosed
WO-1998030540-A1 EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR MERCK & CO., INC. (US) 1998-07-16 — — 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 (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-20240158404-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 CYP2D6 3479/4885KCNH2 4061/4885GRIN2B 4175/4885

“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.