SCHEMBL10281997

SCHEMBL10281997

CC1CCN(C(=N)C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PHGDH O43175 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 5/20 0.36
▸ POLB P06746 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LIPE Q05469 2/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 1/20 0.33

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 0.80 — —
SCHEMBL1106410 0.75 F2 (0.42) ALDH1A1MGLLHPGDCYP1A2MAPT
SCHEMBL1106404 0.75 — —
SCHEMBL24052080 0.75 PHGDH (0.50) ALDH1A1MEN1KMT2APHGDHMGLL
SCHEMBL1106395 0.75 LMNA (0.47) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL1106401 0.74 GAA (0.50) ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL1149395 0.73 PHGDH (0.48) ALDH1A1MEN1KMT2APHGDHMGLL
Hydrochloric Acid SCHEMBL28628605 0.73 F2 (0.40) ALDH1A1HPGDCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL17472551 0.73 F2 (0.40) ALDH1A1HPGDCYP1A2MAPTCYP2C9
SCHEMBL1106418 0.73 F2 (0.46) ALDH1A1PHGDHMGLLHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 974/4885MEN1 1740/4885KMT2A 3673/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885MEN1 1740/4885KMT2A 3673/4885

“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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