SCHEMBL4692148

SCHEMBL4692148

COCCOc1cccc(CNC2CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
CD274 Q9NZQ7 5/20 0.40
PDCD1 Q15116 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL15012409 0.87 MEN1 (0.50) ALDH1A1MEN1KMT2APOLBBCHE
SCHEMBL695671 0.84 MEN1 (0.52) ALDH1A1MEN1KMT2APOLBBCHE
SCHEMBL9951522 0.80 MEN1 (0.49) ALDH1A1MEN1KMT2APOLBBCHE
SCHEMBL4695685 0.77 CD274 (0.35) MEN1KMT2ACD274PDCD1GAA
SCHEMBL1662732 0.74 PDCD1 (0.43) ALDH1A1MEN1KMT2ACD274PDCD1
SCHEMBL56141 0.74 P2RX7 (0.43) MEN1KMT2APOLBBCHEACHE
SCHEMBL13132109 0.73 KMT2A (0.39) ALDH1A1MEN1KMT2APOLBCD274
SCHEMBL695065 0.72 MEN1 (0.68) ALDH1A1MEN1KMT2APOLBBCHE
Hydrochloric Acid SCHEMBL3354807 0.72 MEN1 (0.42) MEN1KMT2APOLBBCHEACHE
SCHEMBL12138321 0.72 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908763-A1 Bicyclic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
US-20070111989-A1 Novel diazabicyclononene derivatives and use ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-17 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 (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-20070111989-A1 Novel diazabicyclononene derivatives and use REN, ACE, AGTR1 ALDH1A1 305/4885MEN1 45/4885KMT2A 3009/4885

“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.