SCHEMBL7545018

SCHEMBL7545018

c1ccc(CC2CCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GBA1 P04062 1/20 0.45
GRM2 Q14416 1/20 0.43
POLB P06746 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL30174437 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3GBA1GRM2
SCHEMBL31372524 0.90 RAB9A (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL2042093 0.90 RAB9A (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL19493715 0.90 RAB9A (0.50) SLC6A2SLC6A4SLC6A3
Water SCHEMBL28259876 0.88 RAB9A (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL28263198 0.88 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3POLB
SCHEMBL11249479 0.86 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3POLB
SCHEMBL4762971 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3GBA1GRM2
SCHEMBL3636577 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3GBA1GRM2
SCHEMBL27397592 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3GBA1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576561-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2013-04-10 EP claimed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO claimed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
US-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2022-09-08 US disclosed
US-20220243001-A1 EPOXY RESIN COMPOSITION SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2022-08-04 US disclosed
EP-2576561-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
CN-100523897-C Laser module FUJI PHOTO FILM CO LTD (JP) 2009-08-05 CN disclosed
CN-1604413-A Laser module FUJI PHOTO FILM CO LTD (JP) 2005-04-06 CN disclosed
US-6495653-B1 RETAINING CURABILITY EVEN AT A LOW TEMPERATURES, LOW VISCOSITY, RAPID CURE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
JP-2002173658-A RESIN COMPOSITION FOR ADHESION AND SEALING FUJITSU LTD 2002-06-21 JP disclosed
US-4965342-A BRANCHED, ATACTIC, HIGHLY CRYSTALLINE ARIZONA BOARD OF REGENTS, ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1990-10-23 US disclosed
EP-0345073-A1 Poly (3-(Substituted)-3(Hydroxymethyl) oxetane) and method of preparing same ARIZONA BOARD OF REGENTS (US) 1989-12-06 EP disclosed
EP-0345074-A1 High molecular weight polymers and copolymers of 3-hydroxyoxetane and derivatives thereof. ARIZONA BOARD OF REGENTS (US) 1989-12-06 EP disclosed
US-4833183-A FILMS, FIBERS, MOLDING MATERIALS EXPLOSIVES ARIZONA BOARD OF REGENTS (US) 1989-05-23 US disclosed
US-4047963-A ETHYLENE OXIDE COPOLYMER, UNSATURATED MONOMER, PHOTOINITIATOR HERCULES INCORPORATED (US) 1977-09-13 US disclosed
US-4009128-A Polymerization of epoxides HERCULES INCORPORATED (US) 1977-02-22 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-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF PTGES, PTGIS, PTGES2 SLC6A2 4695/4885SLC6A4 3856/4885SLC6A3 4729/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 SLC6A2 4674/4885SLC6A4 4696/4885SLC6A3 4635/4885

“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.