SCHEMBL1106399

SCHEMBL1106399

CC(C)C(=N)N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MGLL Q99685 2/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ LIPE Q05469 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL16477891 0.89 — —
SCHEMBL1106410 0.79 F2 (0.42) CYP1A2MGLLCYP2C19ALDH1A1HSD17B10
SCHEMBL1106404 0.79 — —
SCHEMBL25590732 0.78 HTR1A (0.42) CYP1A2TDP1MGLLPHGDHHTR1A
Hydrochloric Acid SCHEMBL17472551 0.77 F2 (0.40) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL28628605 0.77 F2 (0.40) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E
SCHEMBL1106418 0.77 F2 (0.46) CYP1A2MGLLPHGDHCYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL27939057 0.77 F2 (0.40) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E
SCHEMBL1106611 0.76 PIK3CD (0.32) CYP1A2TDP1
Hydrochloric Acid SCHEMBL28661283 0.75 F2 (0.39) CYP1A2CYP2C19ALDH1A1HSD17B10KDM4E

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 10 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-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-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
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 — — WO 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 CYP1A2 117/4885TDP1 1080/4885MGLL 1868/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP1A2 117/4885TDP1 1080/4885MGLL 1868/4885

“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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