SCHEMBL19087724

SCHEMBL19087724

COC(=O)C1CCN(c2cc(C(F)(F)F)ccc2/C=C/C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 1/20 0.48
NOTUM Q6P988 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PDK2 Q15119 1/20 0.40
FFAR2 O15552 1/20 0.40

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
SCHEMBL19078487 0.91 NOTUM (0.42) ENPP2MAPTTDP1NOTUMCYP1A2
SCHEMBL19088117 0.91 NOTUM (0.42) ENPP2MAPTTDP1NOTUMCYP1A2
SCHEMBL17305241 0.89 ENPP2 (0.48) ENPP2MAPTTDP1NOTUMNPC1
SCHEMBL22539567 0.88 ENPP2 (0.47) ENPP2MAPTTDP1NOTUMNPC1
SCHEMBL17305337 0.87 MAPT (0.52) ENPP2MAPTTDP1NOTUMSMN1; SMN2
SCHEMBL19078425 0.85 MAPT (0.47) ENPP2MAPTTDP1NOTUMSMN1; SMN2
SCHEMBL19078471 0.85 MAPT (0.50) ENPP2MAPTTDP1NOTUMSMN1; SMN2
SCHEMBL17305317 0.85 ENPP2 (0.44) ENPP2MAPTTDP1NOTUMCYP1A2
SCHEMBL19088116 0.85 ENPP2 (0.44) ENPP2MAPTTDP1NOTUMCYP1A2
SCHEMBL19078474 0.82 ENPP2 (0.42) ENPP2MAPTTDP1NOTUMCYP1A2

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 3 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

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 ENPP2 2153/4885MAPT 3317/4885TDP1 4676/4885

“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.