SCHEMBL6808966

SCHEMBL6808966

COCC12CNCC(=O)N1CC1(CCN(c3ccncc3)CC1)O2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.40
CYP2D6 P10635 7/20 0.40
CYP2C9 P11712 7/20 0.40
TSHR P16473 5/20 0.40
HIF1A Q16665 4/20 0.39
CYP2C19 P33261 4/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 3/20 0.34
ADRB2 P07550 1/20 0.33
NCF1 P14598 1/20 0.33
PLD1 Q13393 1/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4515626 0.78 SIGMAR1 (0.43) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL7257750 0.78 SIGMAR1 (0.38) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL6078489 0.77 F10 (0.44) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL7257472 0.76 CYP3A4 (0.35) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL7257661 0.76 SIGMAR1 (0.47) CYP2D6TSHR
SCHEMBL7257170 0.76 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL6080063 0.76 F10 (0.44) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL7261956 0.75 F10 (0.42) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL7263014 0.74 ITGB3 (0.41) CYP3A4CYP2D6CYP2C9TSHRHIF1A
SCHEMBL15489294 0.74 F10 (0.50) CYP3A4CYP2D6CYP2C9TSHRHIF1A

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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346994-A1 CHOLESTEROL BIOSYNTHESIS INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT TRICYCLIC SPIRO COMPOUNDS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI CYP3A4 166/4885CYP2D6 301/4885CYP2C9 139/4885

“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.