SCHEMBL5009722

SCHEMBL5009722

CCCNC1CCC(C(=O)OCC)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 7/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL379473 0.88 MAPT (0.44) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL19893800 0.86 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL4222468 0.86 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL19909758 0.86 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL379518 0.85 MAPT (0.42) MAPTALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL19893793 0.84 MAPT (0.46) MAPTALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL19893791 0.84 MAPT (0.46) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL5070265 0.84 MAPT (0.50) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL379729 0.84 CYP1A2 (0.42) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL1701062 0.82 MAPT (0.50) MAPTALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL MAPT 4621/4885ALDH1A1 1278/4885TSHR 1758/4885

“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.