SCHEMBL3086949

SCHEMBL3086949

COc1cc(Cl)cc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MAOB P27338 5/20 0.42
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.40
IDO1 P14902 2/20 0.39
BCDIN3D Q7Z5W3 1/20 0.38
MARS1 P56192 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL43448 0.84 ALDH1A1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18769324 0.84 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5281973 0.84 TAAR1 (0.55) MAOBTAAR1CYP19A1
Hydrochloric Acid SCHEMBL2479666 0.82 ALDH1A1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8223455 0.81 PTGS2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL586588 0.81 MARS1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3933664 0.79 MARS1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL586319 0.79 DAO (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL603252 0.79 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3939805 0.79 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
US-12371429-B2 Antibiotic resistance-modifying tricyclic heteroaryl compounds and uses thereof RECREO PHARMACEUTICALS LLC (US) 2025-07-29 US disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
EP-3836919-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF Recreo Pharmaceuticals Inc. (US) 2021-06-23 EP disclosed
US-20210163479-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2021-06-03 US disclosed
US-20210163479-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2021-06-03 US disclosed
WO-2020037155-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2020-02-20 WO disclosed
WO-2020037155-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2020-02-20 WO disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP disclosed
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US disclosed
EP-1954259-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING Hammersmith Imanet, Ltd (GB) 2008-08-13 EP disclosed
WO-2007063286-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING HAMMERSMITH IMANET LIMITED (GB) 2007-06-07 WO disclosed
WO-2007063286-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING HAMMERSMITH IMANET LIMITED (GB) 2007-06-07 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 (3 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-12371429-B2 Antibiotic resistance-modifying tricyclic heteroaryl compounds and uses thereof CBR3, CBR1, CYP2B6 GRIN2D 2248/4885GRIN3B 1460/4885GRIN1 1101/4885
US-20210163479-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA1, FOXM1 GRIN2D 1280/4885GRIN3B 636/4885GRIN1 592/4885
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GRIN1, GRIN2B, GRIN3B GRIN2D 7/4885GRIN3B 3/4885GRIN1 1/4885

“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.