SCHEMBL17305262

SCHEMBL17305262

CC(C)(C)N1C[C@@H](c2ccc(Cl)cc2)[C@](F)(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.36
PPARA Q07869 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
RIPK1 Q13546 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 1/20 0.34
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL17305235 0.88 LMNA (0.35) LMNAPPARACYP2C9TSHRBLM
SCHEMBL17305437 0.88 RORC (0.38) LMNAPPARACYP2C9TSHRBLM
SCHEMBL19078323 0.87 ALDH1A1 (0.34) MAPK1LMNAPPARACYP2C9TSHR
SCHEMBL17305219 0.87 CYP2C9 (0.35) LMNAPPARACYP2C9TSHRBLM
SCHEMBL17305234 0.87 RORC (0.43) LMNAPPARACYP2C9TSHRBLM
SCHEMBL19078339 0.86 MDM2 (0.38) LMNAPPARACYP2C9TSHRBLM
SCHEMBL19078241 0.85 LMNA (0.40) LMNAPPARACYP2C9TSHRBLM
SCHEMBL17305155 0.85 LMNA (0.40) LMNAPPARACYP2C9TSHRBLM
SCHEMBL17305367 0.85 F2R (0.39) LMNACYP2C9TSHRMAPT
SCHEMBL19078320 0.82 PDE5A (0.39) LMNAPPARACYP2C9TSHRBLM

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 MAPK1 649/4885LMNA 4726/4885PPARA 754/4885

“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.