SCHEMBL1844302

SCHEMBL1844302

CCC1CC(C(=O)O)CCN1c1ccc([N+](=O)[O-])c(NCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.57
▸ NPSR1 Q6W5P4 4/20 0.57
▸ CYP1A2 P05177 3/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ SIRT6 Q8N6T7 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ HTR6 P50406 5/20 0.54
▸ HTT P42858 2/20 0.53
▸ SERPINE1 P05121 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ DCTPP1 Q9H773 1/20 0.44

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
SCHEMBL2389471 1.00 MAPT (0.57) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1845533 0.83 MAPT (0.74) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2390382 0.83 MAPT (0.58) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL12684748 0.78 MAPT (0.69) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1842067 0.78 MAPT (0.72) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1844417 0.78 MAPT (0.65) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2391047 0.77 MAPT (0.70) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1843870 0.76 MAPT (0.67) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL12684805 0.76 MAPT (0.74) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL16297415 0.75 MAPT (0.52) MAPTALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 — — EP claimed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 — — WO claimed
US-8420640-B2 Methods of treating amyloid disease using analogs of 1-(4-nitrophenyl) piperazine TREVENTIS CORPORATION (US) 2013-04-16 — — US disclosed
US-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE TREVENTIS CORPORATION 2011-09-08 — — 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-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE PSEN1, PSEN2, APP MAPT 10/4885NPSR1 717/4885CYP1A2 4025/4885

“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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