SCHEMBL908579

SCHEMBL908579

O[C@@H]1CCCC[C@H]1N1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 11/20 0.74
CYP2D6 P10635 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 1/20 0.53
APEX1 P27695 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL12233680 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL8989794 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL29075879 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL17286254 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL14367947 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL25305403 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL4488178 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL4488180 1.00 SLC18A3 (0.74) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL11346322 0.97 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL6597975 0.97 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179233-A1 PROCESS AND CATALYSTS FOR HYDROGEN MEDIATED ANIONIC COPOLYMERIZATION OF CONJUGATED DIENES AND LIQUID COPOLYMERS THEREOF ALBEMARLE CORPORATION (US) 2025-06-05 US disclosed
EP-4486808-A2 PROCESS AND CATALYSTS FOR HYDROGEN MEDIATED ANIONIC COPOLYMERIZATION OF CONJUGATED DIENES AND LIQUID COPOLYMERS THEREOF ALBEMARLE CORPORATION (US) 2025-01-08 EP disclosed
CN-119137172-A Process and catalyst for hydrogen-mediated anionic copolymerization of conjugated dienes and liquid copolymers thereof 雅宝公司 2024-12-13 CN disclosed
US-20240034825-A1 PROCESS AND CATALYSTS FOR HYDROGEN MEDIATED ANIONIC POLYMERIZATION OF CONJUGATED DIENES AND LIQUID POLYMERS THEREOF ALBEMARLE CORPORATION 2024-02-01 US disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
WO-2023168218-A2 PROCESS AND CATALYSTS FOR HYDROGEN MEDIATED ANIONIC COPOLYMERIZATION OF CONJUGATED DIENES AND LIQUID COPOLYMERS THEREOF ALBEMARLE CORPORATION (US) 2023-09-07 WO disclosed
CN-116568675-A Cyclic isothiourea derivatives as CXCR4 modulators 埃尔米乌治疗公司 2023-08-08 CN disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
CN-116368159-A Process and catalyst for hydrogen-mediated anionic polymerization of conjugated dienes and liquid polymers thereof 雅宝公司 2023-06-30 CN disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
WO-1999050225-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF NORTRAN PHARMACEUTICALS INC. (CA) 1999-10-07 WO disclosed
WO-1999015521-A1 BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-04-01 WO disclosed
EP-0905132-A1 Benzothiophenes ELI LILLY AND COMPANY (US) 1999-03-31 EP disclosed
US-5885984-A BLOCKADE OF ION CHANNELS AND THE TREATMENT OF ARRHYTHMIAS. UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-03-23 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed
US-5637583-A ANTIARRHYTHMIA AGENTS UNIVERSITY OF BRITISH COLUMBIA (CA) 1997-06-10 US disclosed
EP-0720605-A1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIVERSITY OF BRITISH COLUMBIA (CA) 1996-07-10 EP disclosed
WO-1995008544-A1 AMINOCYCLOHEXYLESTERS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1995-03-30 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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 SLC18A3 1097/4885CYP2D6 4214/4885TSHR 1575/4885

“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.