SCHEMBL13663827

SCHEMBL13663827

CCCCC(C)CC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ THRB P10828 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
SCHEMBL23101911 0.88 TSHR (0.34) PIK3CD
SCHEMBL19058762 0.82 CYP1A2 (0.46) MAPTCYP1A2CTSLCTSBCTSK
SCHEMBL18858384 0.79 PIK3CD (0.36) PIK3CD
SCHEMBL19038153 0.74 CYP1A2 (0.48) MAPTCYP1A2CTSLCTSBCTSK
SCHEMBL11677049 0.73 ALDH1A1 (0.47) MAPTCYP1A2CTSLCTSBCTSK
SCHEMBL22500128 0.73 ALDH1A1 (0.47) MAPTCYP1A2CTSLCTSBCTSK
SCHEMBL11677487 0.73 ALDH1A1 (0.47) MAPTCYP1A2CTSLCTSBCTSK
SCHEMBL2102512 0.72 MAPT (0.34) MAPTEPHX1
SCHEMBL18945598 0.72 MAPT (0.34) MAPT
SCHEMBL102262 0.72 PIK3CD (0.45) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 — — 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-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 MAPT 223/4885CYP1A2 103/4885PIK3CD 2836/4885

“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.

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