SCHEMBL1832903

SCHEMBL1832903

O=C1CCCCc2c(OCCCC(=O)N3CCCc4ccccc43)cccc21

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.70
▸ LMNA P02545 6/20 0.70
▸ NPSR1 Q6W5P4 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ GAA P10253 2/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ TSHR P16473 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.61
▸ HPGD P15428 1/20 0.60
▸ ALDH1A1 P00352 9/20 0.60
▸ POLB P06746 1/20 0.58
▸ PKM P14618 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ HTT P42858 4/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL1833488 0.98 MAPT (0.70) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1953023 0.96 MAPT (0.67) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1835297 0.95 MAPT (0.63) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1834778 0.86 MAPT (0.55) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1835417 0.86 MAPT (0.65) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1835418 0.86 MAPT (0.65) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1836825 0.85 MAPT (0.63) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1836824 0.85 MAPT (0.63) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1831385 0.85 MAPT (0.63) MAPTLMNANPSR1KMT2AGAA
SCHEMBL1837962 0.84 MAPT (0.52) MAPTLMNANPSR1KMT2AGAA

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-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-24 — — US disclosed
US-20110136788-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 — — US disclosed
EP-2322222-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Takeda Pharmaceutical Company Limited (JP) 2011-05-18 — — 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 (2 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-20110136788-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR MAPT 4242/4885LMNA 4624/4885NPSR1 98/4885
US-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR MAPT 4189/4885LMNA 4646/4885NPSR1 86/4885

“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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