SCHEMBL17305337

SCHEMBL17305337

COC(=O)C1CCN(c2cc(C(F)(F)F)ccc2C=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
TDP1 Q9NUW8 1/20 0.52
ENPP2 Q13822 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
NOTUM Q6P988 2/20 0.43
PDK2 Q15119 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL18064818 0.93 MAPT (0.47) MAPTTDP1ENPP2SMN1; SMN2LMNA
SCHEMBL17305174 0.90 LMNA (0.44) MAPTTDP1ENPP2SMN1; SMN2LMNA
SCHEMBL19078471 0.89 MAPT (0.50) MAPTTDP1ENPP2SMN1; SMN2CYP1A2
SCHEMBL17305253 0.88 LGMN (0.51) MAPTSMN1; SMN2LMNAFFAR4PDK2
SCHEMBL19078425 0.87 MAPT (0.47) MAPTTDP1ENPP2SMN1; SMN2CYP1A2
SCHEMBL19087724 0.87 ENPP2 (0.50) MAPTTDP1ENPP2SMN1; SMN2CYP1A2
SCHEMBL18701232 0.87 NOTUM (0.54) MAPTSMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL17305241 0.84 ENPP2 (0.48) MAPTTDP1ENPP2SMN1; SMN2LMNA
SCHEMBL29417787 0.84 CYP46A1 (0.52) MAPTSMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL19582603 0.84 CYP46A1 (0.52) MAPTSMN1; SMN2LMNACYP1A2CYP3A4

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
WO-2015182723-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2015-12-03 WO 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 MAPT 3317/4885TDP1 4676/4885ENPP2 2153/4885

“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.