SCHEMBL17305397

SCHEMBL17305397

CCOC(=O)C1CCN(c2cc(C(N)=O)ccc2C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
GPR119 Q8TDV5 4/20 0.52
PARP10 Q53GL7 1/20 0.49
TSHR P16473 2/20 0.47
LGMN Q99538 2/20 0.47
KMT2A Q03164 4/20 0.46
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL17305269 0.87 NPSR1 (0.52) HTTTP53MAPTTSHRLGMN
SCHEMBL20522647 0.86 ALDH1A1 (0.53) HTTTP53MAPTTSHRLGMN
SCHEMBL19078350 0.85 STS (0.46) HTTTP53GPR119TSHRLGMN
SCHEMBL19078363 0.85 ALDH1A1 (0.47) HTTTP53MAPTGPR119TSHR
SCHEMBL17305322 0.84 GPR119 (0.48) HTTTP53GPR119TSHRLGMN
SCHEMBL17305273 0.84 GPR119 (0.49) TP53MAPTGPR119LGMNKMT2A
SCHEMBL22539564 0.81 STS (0.46) TP53GPR119LGMNKMT2AALDH1A1
SCHEMBL25330636 0.80 LGMN (0.53) TP53MAPTGPR119LGMNKMT2A
SCHEMBL17305361 0.80 MAPT (0.51) HTTTP53MAPTGPR119PARP10
SCHEMBL17305315 0.78 LGMN (0.45) HTTTP53MAPTTSHRLGMN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTT 1941/4885TP53 4769/4885MAPT 3317/4885

“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.