SCHEMBL12490332

SCHEMBL12490332

CO/N=C1/CC2(CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC2)Oc2ccsc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.45
CCR8 P51685 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL12409880 1.00 HRH3 (0.49) HRH3CYP3A4CYP2D6CYP2C9CCR8
SCHEMBL12409841 0.93 HRH3 (0.50) HRH3CYP3A4CYP2D6CYP2C9CCR8
SCHEMBL12409812 0.87 HRH3 (0.55) HRH3CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL12409851 0.87 HRH3 (0.55) HRH3CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL12489975 0.86 HRH3 (0.52) HRH3CYP3A4CYP2D6CYP2C9CCR8
SCHEMBL12409879 0.84 SMN1; SMN2 (0.35) HRH3CYP3A4
SCHEMBL12409878 0.83 HRH3 (0.31) HRH3CYP3A4
SCHEMBL12409843 0.80 HRH3 (0.53) HRH3CYP3A4CYP2D6CYP2C9CCR8
SCHEMBL12494330 0.78 HSD11B1 (0.33)
SCHEMBL12495354 0.76 HRH3 (0.57) HRH3CYP3A4CYP2D6CYP2C9KCNH2

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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 US disclosed
WO-2010027567-A2 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-03-11 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 (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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 HRH3 2168/4885CYP3A4 226/4885CYP2D6 275/4885

“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.