SCHEMBL19088128

SCHEMBL19088128

CCOC(=O)C(C)(C)C(C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1N1CCC(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SERPINE1 P05121 3/20 0.37
▸ CTSB P07858 1/20 0.37
▸ LGMN Q99538 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL19078467 0.90 MAPT (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19087942 0.74 MAPT (0.42) MAPTTP53HTTTDP1ALDH1A1
SCHEMBL19087988 0.72 ENPP2 (0.44) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL12643869 0.72 MAPT (0.70) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19078389 0.72 FFAR4 (0.51) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19078469 0.72 MAPT (0.48) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19088118 0.71 KDM4E (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL17305251 0.71 MAPT (0.45) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19078440 0.71 MAPT (0.42) MAPTTP53HTTTDP1ALDH1A1
SCHEMBL19078394 0.70 FFAR4 (0.56) MAPTCYP2C9CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3317/4885CYP2C9 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.

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