SCHEMBL17305461

SCHEMBL17305461

O=C(O)[C@]1(F)CN(C2CCCC2)C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.41
HRH3 Q9Y5N1 5/20 0.38
SLC18A3 Q16572 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MC4R P32245 2/20 0.35

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
SCHEMBL17305202 0.89 HRH3 (0.41) TACR3HRH3MAPK1ALDH1A1MC4R
SCHEMBL17305428 0.85 HRH3 (0.34) HRH3
SCHEMBL17305267 0.84 ALDH1A1 (0.44) KMT2AALDH1A1GAAKDM2B
SCHEMBL22276006 0.84 ALDH1A1 (0.44) KMT2AALDH1A1GAAKDM2B
SCHEMBL22275954 0.84 ALDH1A1 (0.44) KMT2AALDH1A1GAAKDM2B
SCHEMBL22539462 0.83 ALDH1A1 (0.46) KMT2AALDH1A1GAANPSR1KDM2B
SCHEMBL18700552 0.81 KDM2B (0.43) ALDH1A1KDM2B
SCHEMBL18699884 0.77 KDM2B (0.42) KDM2B
SCHEMBL17305262 0.76 MAPK1 (0.38) MEN1KMT2AMAPK1
SCHEMBL17305211 0.75 TACR3 (0.41) TACR3HRH3ALDH1A1TP53MDM2

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
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
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 TACR3 108/4885HRH3 81/4885SLC18A3 543/4885

“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.