SCHEMBL1106416

SCHEMBL1106416

CC(C)C(=N)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA2 P00918 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.36

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
SCHEMBL25947407 0.82 SMN1; SMN2 (0.41) SMN1; SMN2PKMLMNAMAPTCA12
SCHEMBL16477891 0.82 — —
SCHEMBL20752396 0.79 CYP3A4 (0.42) SMN1; SMN2PKMLMNAMAPTCA12
SCHEMBL1106410 0.77 F2 (0.42) SMN1; SMN2LMNAMAPTCA12CA1
SCHEMBL1106404 0.77 — —
Hydrochloric Acid SCHEMBL17472551 0.75 F2 (0.40) SMN1; SMN2LMNAMAPTCA12CA1
SCHEMBL1106418 0.75 F2 (0.46) SMN1; SMN2LMNAMAPTCA12CA1
SCHEMBL1106399 0.73 CYP1A2 (0.42) ALDH1A1PHGDHMGLLHTTCYP2C19
SCHEMBL1149040 0.72 — —
SCHEMBL10458916 0.71 CA12 (0.50) SMN1; SMN2PKMMAPTCA12CA1

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
WO-2020247701-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-10 — — WO 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-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
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 SMN1; SMN2 4168/4885PKM 2122/4885LMNA 734/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885PKM 2122/4885LMNA 734/4885

“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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