SCHEMBL4725540

SCHEMBL4725540

CC(C)CC1CNCCN1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.33
LTA4H P09960 1/20 0.33
PARP1 P09874 1/20 0.32
CXCR4 P61073 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL10219095 1.00 PLG (0.33) PLGLTA4HPARP1CXCR4PRCP
SCHEMBL4725538 1.00 PLG (0.33) PLGLTA4HPARP1CXCR4PRCP
Hydrochloric Acid SCHEMBL3859764 0.98 PLG (0.33) PLGLTA4HPARP1CXCR4
SCHEMBL8203610 0.98 CXCR4 (0.33) PLGLTA4HPARP1CXCR4
SCHEMBL9831374 0.87 CXCR4 (0.39) PLGCXCR4
SCHEMBL26819750 0.83 CXCR4 (0.32) CXCR4
SCHEMBL27755487 0.83 PLG (0.32) PLGLTA4H
SCHEMBL14156651 0.83 LTA4H (0.31) LTA4HPARP1
SCHEMBL4835743 0.83 LTA4H (0.31) LTA4HPARP1
SCHEMBL4835738 0.83 LTA4H (0.31) LTA4HPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US claimed
CN-119410046-A Waterproof flame-retardant polyethylene composite material and preparation method and application thereof 重庆科聚孚新材料有限责任公司 2025-02-11 CN disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-11414764-B2 Method of inhibiting metal corrosion with a piperazine-based polyurea KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-08-16 US disclosed
US-11332470-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-05-17 US disclosed
US-11306088-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-11-25 US disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
US-4544658-A FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-10-01 US disclosed
US-4525589-A Isoquinolinesulfonyl derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0126355-A1 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic acid, processes for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-11-28 EP disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
EP-0113093-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(alkyl-1-piperazinyl)-3-quinoline-carboxylic acids, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-07-11 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 EP disclosed
US-4321061-A Motor fuel PHILLIPS PETROLEUM COMPANY (US) 1982-03-23 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 (5 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 PLG 4177/4885LTA4H 311/4885PARP1 3200/4885
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 PLG 1404/4885LTA4H 484/4885PARP1 1166/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 PLG 4337/4885LTA4H 2096/4885PARP1 1957/4885
US-11306088-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 PLG 1404/4885LTA4H 484/4885PARP1 1166/4885
US-11332470-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 PLG 1404/4885LTA4H 484/4885PARP1 1166/4885

“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.