SCHEMBL1106611

SCHEMBL1106611

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL2048086 0.76 CHRNB2 (0.43) POLB
SCHEMBL1106399 0.76 CYP1A2 (0.42) CYP1A2TDP1
SCHEMBL1106410 0.75 F2 (0.42) CYP1A2
SCHEMBL1106404 0.75 — —
SCHEMBL1106395 0.75 LMNA (0.47) POLB
SCHEMBL16904 0.74 ALDH1A1 (0.42) POLBCYP1A2TDP1
SCHEMBL9079929 0.74 ALDH1A1 (0.42) POLBCYP1A2TDP1
SCHEMBL28468317 0.74 ALDH1A1 (0.42) POLBCYP1A2TDP1
SCHEMBL145307 0.74 — —
SCHEMBL19145518 0.73 CPN1 (0.43) PIK3CDPOLBCYP1A2TDP1

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-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 (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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PIK3CD 3157/4885POLB 3172/4885KCNH2 2033/4885

“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