SCHEMBL1158533

SCHEMBL1158533

CCOC1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CHRM2 P08172 4/20 0.32
▸ OPRM1 P35372 3/20 0.32
▸ CHRM3 P20309 3/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ MLNR O43193 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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
SCHEMBL1158423 0.88 CHRM1 (0.38) CHRM1ALDH1A1KDM4EPOLBCHRM2
SCHEMBL1158572 0.88 NCF1 (0.41) CHRM1ALDH1A1NCF1CHRM2OPRM1
SCHEMBL26042920 0.85 CHRM2 (0.39) CHRM1ALDH1A1L3MBTL3L3MBTL1NCF1
SCHEMBL22695047 0.85 ALDH1A1 (0.38) CHRM1ALDH1A1L3MBTL3L3MBTL1NCF1
SCHEMBL12464287 0.80 NPC1 (0.39) CHRM1ALDH1A1NCF1CHRM2OPRM1
SCHEMBL12774203 0.80 CHRM1 (0.45) CHRM1ALDH1A1L3MBTL3L3MBTL1CHRM2
SCHEMBL26064187 0.79 HRH3 (0.37) CHRM1CHRM2CHRM3KCNH2HRH3
SCHEMBL8266529 0.78 HRH3 (0.38) CHRM1ALDH1A1L3MBTL3L3MBTL1NCF1
SCHEMBL12774160 0.78 ALDH1A1 (0.43) CHRM1ALDH1A1L3MBTL3L3MBTL1KDM4E
SCHEMBL15806952 0.77 MAP3K12 (0.33) CHRM1HRH3

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 5 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-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 CHRM1 3306/4885ALDH1A1 974/4885L3MBTL3 4211/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CHRM1 3306/4885ALDH1A1 974/4885L3MBTL3 4211/4885

“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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