SCHEMBL3800711

SCHEMBL3800711

CCC(C)c1ccc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PTGS2 P35354 1/20 0.48
AHR P35869 3/20 0.44
NR4A2 P43354 2/20 0.44
USP2 O75604 2/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2A6 P11509 2/20 0.44
F7 P08709 1/20 0.44
LTA4H P09960 1/20 0.44
F3 P13726 1/20 0.44
RAD51 Q06609 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IMPDH2 P12268 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
SCHEMBL23586494 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3PTGS2AHR
SCHEMBL3793164 0.86 MEN1 (0.44) AHRUSP2GAAALOX15CYP2A6
SCHEMBL13229327 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3PTGS2AHR
SCHEMBL84922 0.81 PTGS2 (0.53) SLC6A2SLC6A4SLC6A3PTGS2AHR
SCHEMBL30548028 0.81 PTGS2 (0.53) SLC6A2SLC6A4SLC6A3PTGS2AHR
SCHEMBL14833858 0.79 PTGS2 (0.56) SLC6A2SLC6A4SLC6A3PTGS2USP2
SCHEMBL28790452 0.79 PTGS2 (0.46) SLC6A2SLC6A4SLC6A3PTGS2AHR
SCHEMBL20169180 0.78 PTGS2 (0.50) SLC6A2SLC6A4SLC6A3PTGS2AHR
SCHEMBL19901078 0.78 PTGS2 (0.50) SLC6A2SLC6A4SLC6A3PTGS2AHR
SCHEMBL22095908 0.78 PTGS2 (0.50) SLC6A2SLC6A4SLC6A3PTGS2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458061-B1 POTENT AND SELECTIVE MU OPIOID RECEPTOR MODULATORS UNIV VIRGINIA COMMONWEALTH (US) 2023-01-18 EP disclosed
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20210393608-A1 SUBSTITUTED INDOLE DIMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-12-23 US disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 US disclosed
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2020-09-15 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 US disclosed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 EP disclosed
WO-2007131179-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 EP disclosed
US-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 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 (8 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-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP SLC6A2 2040/4885SLC6A4 3734/4885SLC6A3 1431/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP SLC6A2 2040/4885SLC6A4 3734/4885SLC6A3 1431/4885
US-20210393608-A1 SUBSTITUTED INDOLE DIMER COMPOUNDS TLR7, TLR9, NOD2 SLC6A2 3977/4885SLC6A4 2701/4885SLC6A3 3544/4885
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT SLC6A2 2005/4885SLC6A4 482/4885SLC6A3 1157/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT SLC6A2 2301/4885SLC6A4 613/4885SLC6A3 1327/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL SLC6A2 4684/4885SLC6A4 4599/4885SLC6A3 4632/4885
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 SLC6A2 124/4885SLC6A4 90/4885SLC6A3 144/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 SLC6A2 2339/4885SLC6A4 2662/4885SLC6A3 2423/4885

“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.