SCHEMBL20955080

SCHEMBL20955080

O=C1OC2(CCN(Cc3ccccc3)CC2)c2c(F)cc(OCCN3CCCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.49
▸ LTA4H P09960 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FAAH O00519 1/20 0.43

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
SCHEMBL20954957 0.89 SIGMAR1 (0.51) SIGMAR1
SCHEMBL20955571 0.84 SIGMAR1 (0.47) SIGMAR1KMT2A
SCHEMBL20954987 0.84 SIGMAR1 (0.55) SIGMAR1ACHE
SCHEMBL20977909 0.83 LTA4H (0.40) LTA4HKDM4EALDH1A1HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL20955040 0.82 LTA4H (0.40) LTA4HKDM4EALDH1A1KMT2AHRH3
SCHEMBL20955200 0.81 SIGMAR1 (0.47) SIGMAR1KDM4EALDH1A1KMT2AHRH3
SCHEMBL20955335 0.81 SIGMAR1 (0.51) SIGMAR1
SCHEMBL20955688 0.81 SIGMAR1 (0.60) SIGMAR1
SCHEMBL20954910 0.79 SIGMAR1 (0.58) SIGMAR1
SCHEMBL22058104 0.76 TNKS (0.41) SIGMAR1LTA4HKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 — — US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 — — EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 — — US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 — — 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 SIGMAR1 863/4885LTA4H 2456/4885KDM4E 243/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 SIGMAR1 526/4885LTA4H 2480/4885KDM4E 277/4885

“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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