Sugi Predict

Sugi Predict / Compounds / SCHEMBL3301637

SCHEMBL3301637

SCHEMBL3301637

CN(Cc1ccccc1)C(=O)CBr

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.72
▸ RAB9A P51151 3/20 0.72
▸ KMT2A Q03164 3/20 0.66
▸ CA12 O43570 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HPGD P15428 2/20 0.56
▸ TSPO P30536 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ RIPK1 Q13546 1/20 0.53
▸ AOC3 Q16853 1/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ MGLL Q99685 1/20 0.50

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
SCHEMBL1195708 0.85 NPC1 (0.72) NPC1RAB9AKMT2ACA12CA9
SCHEMBL29993175 0.82 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9
SCHEMBL544272 0.82 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9
SCHEMBL1516137 0.82 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9
SCHEMBL3163935 0.82 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9
SCHEMBL544271 0.82 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9
SCHEMBL8472943 0.81 LTB4R (0.55) NPC1RAB9AKMT2AMEN1AOC3
SCHEMBL4884116 0.81 NPC1 (0.79) NPC1RAB9AKMT2ACA12CA9
SCHEMBL180384 0.81 NPC1 (0.73) NPC1RAB9AKMT2ACA12CA9
SCHEMBL5110210 0.81 NPC1 (0.72) NPC1RAB9AKMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025107026-A1 TSPO LIGANDS THE UNIVERSITY OF SYDNEY (AU) 2025-05-30 — — WO disclosed
US-20240254081-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2024-08-01 — — US disclosed
EP-4334285-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS Kare Chemical Technologies Inc. (CA) 2024-03-13 — — EP disclosed
CN-117597329-A Method for the catalytic synthesis of tryptamine and precursors thereof 凯尔化学科技公司 2024-02-23 — — CN disclosed
CN-117003744-A Five-membered and six-membered compound, intermediate, preparation method, composition and application 厦门市博瑞来医药科技有限公司 2023-11-07 — — CN disclosed
US-20230301947-A1 COMPOUND FOR PREVENTING AND TREATING PSYCHIATRIC DISORDERS AND USE THEREOF SHAOXING ZEROIN BIOMEDICINES CO., LTD. (CN) 2023-09-28 — — US disclosed
EP-4190322-A1 COMPOUND FOR PREVENTING AND TREATING PSYCHIATRIC DISORDERS AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-06-07 — — EP disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 — — WO disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 — — WO disclosed
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 — — US disclosed
US-8232267-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-07-31 — — US disclosed
US-20100093688-A1 Porphyrin catalysts and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 — — US disclosed
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 — — US disclosed
WO-2008094222-A2 PORPHYRIN CATALYSTS AND METHODS OF USE THEREOF TRUSTEES OF PRINCETON (US) 2008-08-07 — — WO disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 — — US disclosed
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 — — US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 — — US disclosed
EP-0673924-A1 PROPIONIC ACID DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1995-09-27 — — EP disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 — — US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 — — 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 (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-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 NPC1 2931/4885RAB9A 1342/4885KMT2A 2789/4885
US-20240254081-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS HNMT, TPSB2, TPSG1 NPC1 3703/4885RAB9A 1866/4885KMT2A 390/4885
US-20100093688-A1 Porphyrin catalysts and methods of use thereof PPOX, POR, MPO NPC1 844/4885RAB9A 3583/4885KMT2A 2964/4885
US-20230301947-A1 COMPOUND FOR PREVENTING AND TREATING PSYCHIATRIC DISORDERS AND USE THEREOF GRIK1, KCNJ11, GRIN1 NPC1 161/4885RAB9A 1343/4885KMT2A 2170/4885

“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.