SCHEMBL19078367

SCHEMBL19078367

FC(F)(F)c1ccc(Br)c(N2CCC3(CC2)OCCO3)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LGMN Q99538 1/20 0.41
FFAR4 Q5NUL3 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 1/20 0.37
SCN9A Q15858 1/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34

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
SCHEMBL15269613 0.81 LMNA (0.63) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL25226269 0.76 LGMN (0.50) ALDH1A1LMNAKDM4ELGMNSMN1; SMN2
SCHEMBL17305205 0.75 POLB (0.42) ALDH1A1LMNAKDM4ELGMNSMN1; SMN2
SCHEMBL3919469 0.75 ADRB2 (0.55) ALDH1A1LMNAKDM4E
SCHEMBL15010070 0.75 SRPK1 (0.45) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL22053011 0.74 LGMN (0.44) ALDH1A1LMNAKDM4ELGMNSMN1; SMN2
SCHEMBL17305245 0.74 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL17305218 0.72 LMNA (0.46) ALDH1A1LMNAKDM4ESCN9ATSHR
SCHEMBL18608805 0.72 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EFFAR4SMN1; SMN2
SCHEMBL30112359 0.71 LGMN (0.42) ALDH1A1LMNAKDM4ELGMNSMN1; SMN2

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
EP-3150578-B1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-14 EP disclosed
US-9981960-B2 Pyrrolidine compound and application as melanocortin receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-29 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 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-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R ALDH1A1 1837/4885LMNA 4726/4885KDM4E 1818/4885

“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.