SCHEMBL19087942

SCHEMBL19087942

CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1N1CCC(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ HTT P42858 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ LGMN Q99538 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 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
SCHEMBL19078440 0.89 MAPT (0.42) MAPTHTTTP53L3MBTL1TDP1
SCHEMBL19088128 0.74 MAPT (0.41) MAPTHTTTP53TDP1ALDH1A1
SCHEMBL6529147 0.72 MAPT (0.68) MAPTHTTTP53L3MBTL1TDP1
SCHEMBL17305465 0.71 MAPT (0.47) MAPTHTTTP53L3MBTL1ALDH1A1
SCHEMBL3435998 0.70 MAPT (0.74) MAPTHTTTP53L3MBTL1TDP1
SCHEMBL19078428 0.70 HTR3E (0.53) MAPTHTTL3MBTL1ALDH1A1MEN1
SCHEMBL19078467 0.70 MAPT (0.43) MAPTHTTTP53L3MBTL1TDP1
SCHEMBL19078412 0.70 PDE4A (0.43) MAPTHTTTP53L3MBTL1ALDH1A1
SCHEMBL19087943 0.69 MAPT (0.44) MAPTHTTL3MBTL1TDP1ALDH1A1
SCHEMBL17542826 0.68 LGMN (0.59) MAPTHTTTP53ALDH1A1LGMN

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 3317/4885HTT 1941/4885TP53 4769/4885

“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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