SCHEMBL2975751

SCHEMBL2975751

CC(C)(CNCC1CCCCC1)n1c[c]nc1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.33
KMT2A Q03164 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
OPRK1 P41145 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
HDAC1 Q13547 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL2975757 0.89 PSEN1 (0.35) JAK2JAK3SIRT2SIRT1SIRT3
SCHEMBL2819899 0.81
SCHEMBL2982484 0.81 RPS6KB1 (0.34)
SCHEMBL2970748 0.80 FPR2 (0.31)
SCHEMBL2823286 0.79 JAK2 (0.30) JAK2
SCHEMBL2821975 0.79
SCHEMBL2822314 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2983248 0.77
SCHEMBL2821139 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2977637 0.75

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
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US 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 CD38 2222/4885KMT2A 2322/4885OPRM1 2164/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 CD38 2222/4885KMT2A 2322/4885OPRM1 2164/4885

“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.