SCHEMBL7113804

SCHEMBL7113804

O=CC1(c2ccc(Cl)cc2)CC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
CCR2 P41597 1/20 0.36
PTGS2 P35354 2/20 0.35
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34
HSD11B1 P28845 5/20 0.34
LIG1 P18858 1/20 0.34
HDAC4 P56524 1/20 0.34
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL12020373 0.81 MAOA (0.44) MAOAMAOBKDM1ACCR2PTGS2
SCHEMBL695920 0.78 HSD17B10 (0.41) MAOAMAOBKDM1AHSD17B10DRD2
SCHEMBL6498103 0.75 HDAC4 (0.44) HSD17B10DRD2HSD11B1HDAC4
SCHEMBL620974 0.75 HSD11B1 (0.41) CCR2HSD17B10DRD2HSD11B1LIG1
SCHEMBL28800669 0.73 MAOA (0.42) MAOAMAOBKDM1ACCR2HSD17B10
SCHEMBL10879701 0.73 SLC6A4 (0.47) HSD11B1HDAC4
SCHEMBL20187414 0.71 MAOA (0.53) MAOAMAOBKDM1ACCR2PTGS2
SCHEMBL17872734 0.71 KDM1A (0.48) MAOAMAOBKDM1ACCR2PTGS2
SCHEMBL17872736 0.71 KDM1A (0.48) MAOAMAOBKDM1ACCR2PTGS2
SCHEMBL17872738 0.71 KDM1A (0.48) MAOAMAOBKDM1ACCR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353896-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF HYDROXYLATED CYCLOBUTYLALKYLAMINES Sepracor Inc. (US) 2003-10-22 EP disclosed
US-20020115727-A1 Synthesis, methods of using, and compositions of hydroxylated cyclobutylalkylamines SEPRACOR INC. 2002-08-22 US disclosed
WO-2002046138-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF HYDROXYLATED CYCLOBUTYLALKYLAMINES SEPRACOR INC. (US) 2002-06-13 WO 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-20020115727-A1 Synthesis, methods of using, and compositions of hydroxylated cyclobutylalkylamines HTR5A, TPH1, HTR1B MAOA 19/4885MAOB 22/4885KDM1A 3102/4885

“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.