SCHEMBL2087650

SCHEMBL2087650

Nc1ccnc2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ACHE P22303 14/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
BPTF Q12830 1/20 0.40
GRM4 Q14833 1/20 0.39
BCHE P06276 10/20 0.38
GRIN1 Q05586 11/20 0.36
GRIN2A Q12879 11/20 0.36
CHRM1 P11229 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GRIN2C Q14957 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
SCHEMBL31005090 1.00 NOS3 (0.44) NOS3NOS1NOS2ACHEMEN1
SCHEMBL2087614 0.96 NOS3 (0.48) NOS3NOS1NOS2ACHEMEN1
SCHEMBL6845547 0.86
SCHEMBL795850 0.76 GRM4 (0.40) NOS3NOS1NOS2ACHEGRM4
SCHEMBL24339083 0.74 GRM4 (0.39) NOS3NOS1NOS2ACHEMEN1
SCHEMBL540379 0.74 GRM4 (0.39) NOS3NOS1NOS2ACHEMEN1
SCHEMBL30406836 0.74 GRM4 (0.39) NOS3NOS1NOS2ACHEMEN1
SCHEMBL30406511 0.74 GRM4 (0.39) NOS3NOS1NOS2ACHEMEN1
SCHEMBL827623 0.74 GRM4 (0.39) NOS3NOS1NOS2ACHEGRM4
SCHEMBL25301798 0.74 GRM4 (0.49) NOS3NOS1NOS2ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307470-A Synthesis method of 6, 7-dihydro-5H-cyclopenta [ b ] pyridine-4-amine 上海毕得医药科技股份有限公司 2024-07-09 CN claimed
CN-118307470-A Synthesis method of 6, 7-dihydro-5H-cyclopenta [ b ] pyridine-4-amine 上海毕得医药科技股份有限公司 2024-07-09 CN disclosed
WO-2019072978-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS Basilea Pharmaceutica International AG (CH) 2019-04-18 WO disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
EP-1809622-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2010-07-21 EP disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
EP-1809622-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 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 (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-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 NOS3 2353/4885NOS1 2019/4885NOS2 2767/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 NOS3 2353/4885NOS1 2019/4885NOS2 2767/4885

“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.