SCHEMBL6087133

SCHEMBL6087133

Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1.NC[C@@H]1CCc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.48
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6084684 1.00 FKBP1A (0.48) FKBP1AALDH1A1L3MBTL1MAPTPOLB
SCHEMBL6087699 1.00 FKBP1A (0.48) FKBP1AALDH1A1L3MBTL1MAPTPOLB
SCHEMBL6167541 0.91 CA2 (0.40) FKBP1AALDH1A1L3MBTL1MAPTPOLB
SCHEMBL6087129 0.88 CA2 (0.42) POLBHTT
SCHEMBL6087694 0.88 CA2 (0.42) POLBHTT
SCHEMBL6084673 0.88 CA2 (0.42) POLBHTT
SCHEMBL6583410 0.85 HTT (0.41) POLBHTT
SCHEMBL6583233 0.85 HTT (0.41) POLBHTT
SCHEMBL6583408 0.82 CCR4 (0.48) FKBP1A
SCHEMBL6583228 0.82 CCR4 (0.48) FKBP1A

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
US-20040138266-A1 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2004-07-15 US claimed
US-7045629-B2 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2006-05-16 US disclosed
US-20040138266-A1 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2004-07-15 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-20040138266-A1 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane PAH, HPD, CYP3A43 FKBP1A 1375/4885ALDH1A1 263/4885L3MBTL1 4677/4885

“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.