SCHEMBL6087129

SCHEMBL6087129

Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)O.NC[C@@H]1CCc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
HCRTR1 O43613 2/20 0.40
HTR1A P08908 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
BRD4 O60885 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HCRTR2 O43614 1/20 0.38

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
SCHEMBL6084673 1.00 CA2 (0.42) CA2POLBHTTLMNAHCRTR1
SCHEMBL6087694 1.00 CA2 (0.42) CA2POLBHTTLMNAHCRTR1
SCHEMBL6583410 0.93 HTT (0.41) CA2POLBHTTLMNAHCRTR1
SCHEMBL6583233 0.93 HTT (0.41) CA2POLBHTTLMNAHCRTR1
SCHEMBL6087133 0.88 FKBP1A (0.48) POLBHTT
SCHEMBL6087699 0.88 FKBP1A (0.48) POLBHTT
SCHEMBL6084684 0.88 FKBP1A (0.48) POLBHTT
SCHEMBL6583228 0.83 CCR4 (0.48) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6583408 0.83 CCR4 (0.48) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6167541 0.83 CA2 (0.40) CA2POLBHTR1ASIGMAR1ADRA2A

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 CA2 28/4885POLB 3249/4885HTT 3941/4885

“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.