SCHEMBL1106418

SCHEMBL1106418

CC(C)C(=N)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.36
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ MGLL Q99685 2/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL1106410 0.97 F2 (0.42) F2ALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL28628605 0.95 F2 (0.40) F2ALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL17472551 0.95 F2 (0.40) F2ALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL28661283 0.92 F2 (0.39) F2ALDH1A1HPGDMAPTKDM4E
SCHEMBL1106404 0.92 — —
SCHEMBL16477891 0.86 — —
SCHEMBL1106399 0.77 CYP1A2 (0.42) ALDH1A1MGLLPHGDHKDM4ECYP1A2
SCHEMBL10312994 0.77 F2 (0.44) F2ALDH1A1MGLLPHGDHALDH2
SCHEMBL1106416 0.75 SMN1; SMN2 (0.44) ALDH1A1CA1CA2CA12CA9
SCHEMBL1106406 0.75 CA2 (0.38) CA1CA2CA12CA9PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 — — US disclosed
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-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 — — US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 — — 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
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 — — US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 — — 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 (3 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 F2 5/4885ALDH1A1 1402/4885CA1 451/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F2 5/4885ALDH1A1 974/4885CA1 246/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F2 5/4885ALDH1A1 974/4885CA1 246/4885

“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.

Send feedback