SCHEMBL2320124

SCHEMBL2320124

O=C(O)C1(CC2(C(=O)O)CCCC2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.61
MME P08473 4/20 0.39
TBXAS1 P24557 2/20 0.35
FFAR3 O14843 1/20 0.35
AKR1C1 Q04828 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9342816 0.97 CYP2C19 (0.65) CYP2C19MMETBXAS1FFAR3AKR1C1
SCHEMBL125690 0.97 CYP2C19 (0.65) CYP2C19MMETBXAS1FFAR3AKR1C1
SCHEMBL9183856 0.82 CYP2C19 (0.61) CYP2C19MMETBXAS1FFAR3AKR1C1
SCHEMBL2277073 0.80 CYP2C19 (0.58) CYP2C19MMETBXAS1FFAR3AKR1C1
SCHEMBL9183557 0.80 CYP2C19 (0.65) CYP2C19MMETBXAS1FFAR3USP2
SCHEMBL9180415 0.80 CYP2C19 (0.65) CYP2C19MMETBXAS1FFAR3USP2
SCHEMBL18235 0.78 CYP2C19 (0.62) CYP2C19MMETBXAS1FFAR3AKR1C1
SCHEMBL3636207 0.78 CYP2C19 (0.56) CYP2C19MMETBXAS1FFAR3AKR1C1
SCHEMBL1821191 0.78 CYP2C19 (0.56) CYP2C19MMETBXAS1USP2ALDH1A1
SCHEMBL17791681 0.78 CYP2C19 (0.56) CYP2C19MMETBXAS1FFAR3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528890-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-12-05 EP disclosed
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US disclosed
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 WO disclosed
US-5301087-A Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-04-05 US disclosed
EP-0501439-A1 Electrolyte for electrolytic capacitor and electrolytic capacitor using the same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-09-02 EP 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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 CYP2C19 856/4885MME 369/4885TBXAS1 202/4885

“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.