SCHEMBL10312994

SCHEMBL10312994

CCC(C)C(=N)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ EPHX2 P34913 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MGLL Q99685 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ FBP1 P09467 2/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ KDM4A O75164 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
SCHEMBL4011185 0.98 F2 (0.41) F2EPHX2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL15212474 0.96 F2 (0.39) F2EPHX2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL21359993 0.96 F2 (0.39) F2EPHX2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL3788280 0.96 F2 (0.39) F2EPHX2L3MBTL1MEN1KMT2A
Water SCHEMBL28947683 0.96 F2 (0.39) F2EPHX2L3MBTL1MEN1KMT2A
SCHEMBL25590732 0.81 HTR1A (0.42) TDP1MGLLALDH1A1PHGDH
SCHEMBL20752396 0.79 CYP3A4 (0.42) MEN1KMT2AMGLLALDH1A1PHGDH
SCHEMBL1106418 0.77 F2 (0.46) F2MGLLALDH1A1FBP1PHGDH
Hydrochloric Acid SCHEMBL28539659 0.75 ALDH1A1 (0.41) F2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3027913 0.75 F2 (0.32) F2

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 2 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

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-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F2 5/4885EPHX2 497/4885L3MBTL1 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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