SCHEMBL18700910

SCHEMBL18700910

COC(=O)C1CCN(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
PDK2 Q15119 1/20 0.55
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRM2 P08172 1/20 0.47
NPY5R Q15761 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LGMN Q99538 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
ACACB O00763 1/20 0.47
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
CHRM4 P08173 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
SCHEMBL5481745 0.89 MAPT (0.55) MAPTPDK2PDE3BPDE3AMEN1
SCHEMBL20616398 0.88 MAPT (0.54) MAPTPDK2PDE3BPDE3AMEN1
SCHEMBL13896503 0.84 MAPT (0.66) MAPTPDK2PDE3BPDE3AMEN1
SCHEMBL5799877 0.82 NOTUM (0.60) PDK2CHRM2NOTUM
SCHEMBL13722313 0.82 PDK2 (0.54) MAPTPDK2PDE3BPDE3AMEN1
SCHEMBL20065165 0.81 NOTUM (0.48) MAPTPDK2PDE3BPDE3ASMN1; SMN2
SCHEMBL25262380 0.81 MAPT (0.66) MAPTPDK2PDE3BPDE3AMEN1
SCHEMBL31320029 0.80 NOTUM (0.55) MAPTMEN1KMT2ASMN1; SMN2NOTUM
SCHEMBL29033479 0.80 NOTUM (0.55) MAPTMEN1KMT2ASMN1; SMN2NOTUM
SCHEMBL18198578 0.80 NOTUM (0.55) MAPTMEN1KMT2ASMN1; SMN2NOTUM

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 6 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-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
EP-3150578-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2017-04-05 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 (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 3317/4885PDK2 2867/4885PDE3B 1427/4885

“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.