SCHEMBL12206665

SCHEMBL12206665

O=C(CCCc1cccc(OCCF)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.60
▸ POLB P06746 1/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ ME2 P23368 3/20 0.52
▸ ME1 P48163 3/20 0.52
▸ ME3 Q16798 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ MAPK1 P28482 3/20 0.48

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
SCHEMBL12206689 0.84 MAPT (0.59) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL2309885 0.84 MAPT (0.59) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL12206654 0.82 MAPT (0.58) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL12206736 0.82 MAPT (0.58) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL12206667 0.79 ME2 (0.61) MAPTPOLBSMN1; SMN2KDM4EGAA
SCHEMBL2313173 0.79 MAPT (0.56) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL12206697 0.79 MAPT (0.56) MAPTPOLBNPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL2309495 0.76 ME2 (0.58) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL2312575 0.76 ME2 (0.64) MAPTPOLBNPC1SMN1; SMN2RAB9A
SCHEMBL12206658 0.76 MAPT (0.49) MAPTPOLBNPC1SMN1; SMN2RAB9A

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
US-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 — — US disclosed
US-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 — — US disclosed
WO-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 — — WO disclosed
EP-2163541-A1 Piperazine derivatives for binding and imaging amyloid plaques and their use Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-17 — — EP 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-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use APP, APBA1, PSEN1 MAPT 14/4885POLB 2810/4885NPC1 154/4885

“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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