SCHEMBL2977666

SCHEMBL2977666

CC(C)(C)CNC[C@H](c1ccccc1)n1cnc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.41
ADA P00813 1/20 0.40
KDM4C Q9H3R0 2/20 0.36
BACE1 P56817 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
KDM5A P29375 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
CCR3 P51677 2/20 0.32
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
CACNA1D Q01668 1/20 0.31

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
SCHEMBL2974374 0.79 BCHE (0.37) BCHEADAKDM4CBACE1KDM5B
SCHEMBL2974379 0.79 BCHE (0.37) BCHEADAKDM4CBACE1KDM5B
SCHEMBL2983258 0.79 BCHE (0.37) BCHEADAKDM4CBACE1KDM5B
SCHEMBL28776455 0.70 KDM5B (0.49) ADAKDM5BALDH1A1KDM5A
SCHEMBL21199626 0.67 RIPK1 (0.37) ADAKDM5B
SCHEMBL13900487 0.67 TAAR1 (0.55) BCHEBACE1CACNA1FCHRM2CHRM1
SCHEMBL2819292 0.66 ANPEP (0.38) BCHEALDH1A1CACNA1FCHRM2CHRM1
SCHEMBL2980383 0.66 EGFR (0.33)
SCHEMBL13900506 0.66 KDM4E (0.68) BCHEBACE1ALDH1A1GAAAOC3
SCHEMBL2977661 0.65 BCHE (0.43) BCHEADABACE1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US claimed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP claimed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP disclosed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 BCHE 20/4885ADA 2029/4885KDM4C 3123/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 BCHE 20/4885ADA 2029/4885KDM4C 3123/4885

“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.