SCHEMBL5228988

SCHEMBL5228988

[CH2]CCN(Cc1ccccc1)C(N)=NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 11/20 0.45
▸ GRIN1 Q05586 9/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GRIN2D O15399 5/20 0.41
▸ GRIN3B O60391 5/20 0.41
▸ GRIN2A Q12879 5/20 0.41
▸ GRIN2C Q14957 5/20 0.41
▸ GRIN3A Q8TCU5 5/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL1792492 0.87 GRIN2B (0.53) GRIN2BGRIN1NOS2MEN1ALDH1A1
SCHEMBL5269584 0.77 LMNA (0.46) GRIN2BGRIN1NOS2MEN1ALDH1A1
SCHEMBL5232108 0.77 GRIN2D (0.48) GRIN2BGRIN1MEN1ALDH1A1KMT2A
SCHEMBL18795744 0.74 LMNA (0.52) MEN1ALDH1A1KMT2AGAAMGLL
SCHEMBL45769 0.71 GRIN2B (0.68) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL6313280 0.71 GAA (0.41) GRIN2BGRIN1NOS2ALDH1A1GRIN2D
Hydrochloric Acid SCHEMBL4629266 0.69 GRIN2B (0.72) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL7206541 0.69 GRIN2B (0.65) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL8474170 0.69 GRIN2B (0.49) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL1795009 0.68 GRIN2B (0.43) GRIN2BGRIN1NOS2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218337-B1 SYNTHESIS OF 3,5,7|-1H-IMIDAZO 1,5-A|IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2007-10-31 — — EP claimed
US-6545032-B1 Combinatorial libraries TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2003-04-08 — — US claimed
US-20020193608-A1 Synthesis of [3,5,7]--1H-imidazo [1,5-a]imidazol-2 (3H)- one compounds ELABDELLAOUI HASSAN M (US) 2002-12-19 — — US claimed
EP-1218337-B1 SYNTHESIS OF 3,5,7|-1H-IMIDAZO 1,5-A|IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2007-10-31 — — EP disclosed
US-6809202-B2 SYNTHETIC PEPTIDES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2004-10-26 — — US disclosed
US-20030120066-A1 Synthetic peptides NEFZI ADEL (US) 2003-06-26 — — US disclosed
US-20020193608-A1 Synthesis of [3,5,7]--1H-imidazo [1,5-a]imidazol-2 (3H)- one compounds ELABDELLAOUI HASSAN M (US) 2002-12-19 — — 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-20020193608-A1 Synthesis of [3,5,7]--1H-imidazo [1,5-a]imidazol-2 (3H)- one compounds CYP3A7, CYP3A5, AADAC GRIN2B 1084/4885GRIN1 190/4885NOS2 3828/4885
US-20030120066-A1 Synthetic peptides VIP, NGLY1, GRPR GRIN2B 2443/4885GRIN1 1052/4885NOS2 2959/4885

“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.

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