SCHEMBL2294908

SCHEMBL2294908

C=C1CCCNc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.43
▸ BRD4 O60885 1/20 0.38
▸ NOS2 P35228 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL11802702 0.88 BRD4 (0.44) BCHEBRD4NOS2ACHEALDH1A1
SCHEMBL26405759 0.78 F7 (0.40) ACHEALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2293873 0.76 BCHE (0.43) BCHEBRD4NOS2ACHEALDH1A1
SCHEMBL18322825 0.76 PDPK1 (0.46) BCHEBRD4KDM4EHPGDMAPT
SCHEMBL641073 0.76 MEN1 (0.49) BCHEBRD4NOS2ALDH1A1KDM4E
SCHEMBL17922184 0.76 MAPT (0.36) MAPT
Hydrochloric Acid SCHEMBL6137124 0.74 MEN1 (0.47) BCHEBRD4ALDH1A1KDM4EMEN1
SCHEMBL14255914 0.74 PARP10 (0.40) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL1130729 0.74 NOS2 (0.41) BRD4NOS2ALDH1A1KDM4EMEN1
SCHEMBL30555345 0.74 NOS2 (0.41) BRD4NOS2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 — — EP claimed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 — — WO claimed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 — — US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 — — EP disclosed
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 — — EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 — — 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 (1 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S BCHE 1353/4885BRD4 2651/4885NOS2 293/4885

“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.

Send feedback