SCHEMBL2971502

SCHEMBL2971502

CCCCOCCCNCCn1cnc(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 4/20 0.37
CPB2 Q96IY4 4/20 0.34
CPB1 P15086 1/20 0.34
CNOT7 Q9UIV1 1/20 0.34
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL2971687 0.90 KDM4E (0.38) ALDH1A1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL2968080 0.86 CPB2 (0.33) ALDH1A1TSHRCPB2CPB1RECQL
SCHEMBL2979424 0.81 ALDH1A1 (0.37) ALDH1A1TSHRCPB2CPB1RECQL
Hydrochloric Acid SCHEMBL28942678 0.74 CPB2 (0.44) ALDH1A1CPB2CPB1KMT2ALMNA
SCHEMBL2823794 0.71 NUDT1 (0.33)
SCHEMBL9149193 0.70 TSHR (0.55) ALDH1A1TSHRRECQLKMT2ADRD2
SCHEMBL5933590 0.68 TSHR (0.52) ALDH1A1TSHRKMT2ADRD2DRD4
SCHEMBL5932494 0.68 TSHR (0.52) ALDH1A1TSHRRECQLKMT2ADRD2
SCHEMBL5932563 0.68 TSHR (0.52) ALDH1A1TSHRRECQLKMT2ADRD2
SCHEMBL15510573 0.66 TSHR (0.50) ALDH1A1TSHRRECQLKMT2ADRD2

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 ALDH1A1 807/4885TSHR 544/4885CPB2 3183/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 ALDH1A1 807/4885TSHR 544/4885CPB2 3183/4885

“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.