SCHEMBL17305261

SCHEMBL17305261

O=C(O)C1CCN(c2cc(C(F)(F)F)ccc2Br)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.57
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
POLB P06746 1/20 0.51
SERPINE1 P05121 6/20 0.51
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
IDH2 P48735 1/20 0.49
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR4 Q5NUL3 2/20 0.45

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
SCHEMBL17305154 0.86 NOTUM (0.52) NOTUMCYP2C9CYP2C19POLBIDH2
SCHEMBL17305251 0.85 MAPT (0.45) NOTUMCYP2C9CYP2C19SERPINE1MAPT
SCHEMBL5802557 0.84 SERPINE1 (0.60) NOTUMCYP2C9CYP2C19POLBSERPINE1
SCHEMBL18700734 0.83 FFAR4 (0.61) NOTUMCYP2C9CYP2C19POLBSERPINE1
SCHEMBL1573476 0.83 NOTUM (0.57) NOTUMCYP2C9CYP2C19POLBSERPINE1
SCHEMBL17305385 0.83 LGMN (0.53) POLBMAPTMEN1ALDH1A1KMT2A
SCHEMBL18701232 0.81 NOTUM (0.54) NOTUMCYP2C9CYP2C19POLBSERPINE1
SCHEMBL12644303 0.80 FFAR2 (0.62) NOTUMCYP2C9CYP2C19POLBSERPINE1
SCHEMBL5800096 0.80 FFAR2 (0.54) NOTUMCYP2C9CYP2C19POLBSERPINE1
SCHEMBL19078354 0.78 KMT2A (0.41) NOTUMCYP2C9CYP2C19MAPTCYP1A2

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
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
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 NOTUM 2699/4885CYP2C9 1840/4885CYP2C19 1008/4885

“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.