SCHEMBL10312572

SCHEMBL10312572

CC(C)(C)OC1CCN(C2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ABCB1 P08183 2/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ PHGDH O43175 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL17471309 0.94 SIGMAR1 (0.37) SIGMAR1HRH3ABCB1
SCHEMBL1106443 0.90 SIGMAR1 (0.32) SIGMAR1HRH3ABCB1
SCHEMBL18032450 0.84 CYP2D6 (0.36) SIGMAR1HRH3ABCB1OPRL1
SCHEMBL18032444 0.84 CYP2D6 (0.36) SIGMAR1HRH3ABCB1OPRL1
SCHEMBL18032453 0.84 CYP2D6 (0.36) SIGMAR1HRH3ABCB1OPRL1
SCHEMBL1106428 0.82 ALDH1A1 (0.34) HRH3OPRM1
SCHEMBL23651560 0.82 SIGMAR1 (0.33) SIGMAR1HRH3ABCB1
SCHEMBL18032457 0.82 L3MBTL3 (0.35) HRH3ABCB1OPRL1
SCHEMBL26419480 0.82 ABCB1 (0.33) SIGMAR1HRH3ABCB1OPRL1
SCHEMBL8261455 0.82 SIGMAR1 (0.33) SIGMAR1HRH3ABCB1

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 SIGMAR1 3832/4885HRH3 1829/4885ABCB1 560/4885

“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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