SCHEMBL1106428

SCHEMBL1106428

CN1CCC(N2CCC(OC(C)(C)C)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ CHRM3 P20309 2/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL1106443 0.88 SIGMAR1 (0.32) HRH3
SCHEMBL1106464 0.88 HRH3 (0.37) HRH3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL17471309 0.84 SIGMAR1 (0.37) HRH3CYP2D6KCNH2
SCHEMBL10312572 0.82 SIGMAR1 (0.42) HRH3OPRM1
SCHEMBL12395681 0.80 SMN1; SMN2 (0.34) HRH3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL24828001 0.79 MEN1 (0.40) L3MBTL1OPRM1
SCHEMBL23180455 0.79 CHRM2 (0.35) HRH3CHRM2CHRM1KCNH2CHRM3
SCHEMBL8266529 0.78 HRH3 (0.38) ALDH1A1L3MBTL3L3MBTL1HRH3CHRM2
SCHEMBL12395667 0.77 — —
SCHEMBL25001770 0.76 ALDH1A1 (0.36) ALDH1A1L3MBTL3L3MBTL1HRH3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 — — US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 — — US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 — — US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 — — US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 — — US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 — — 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885L3MBTL3 4211/4885L3MBTL1 3511/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885L3MBTL3 4211/4885L3MBTL1 3511/4885

“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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