SCHEMBL12409132

SCHEMBL12409132

CN1CCC(NC(=O)Cc2ccccn2)C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.63
SSTR4 P31391 7/20 0.50
SSTR1 P30872 5/20 0.48
GLS O94925 2/20 0.46
USP30 Q70CQ3 1/20 0.45
NOS2 P35228 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL13621159 0.93 SIGMAR1 (0.58) SIGMAR1SSTR4GLSHPGDRECQL
SCHEMBL29765379 0.92 SIGMAR1 (0.70) SIGMAR1SSTR4DRD4
SCHEMBL14391516 0.84 HPGD (0.50) SSTR4HPGDRECQL
SCHEMBL357853 0.84 HPGD (0.50) SSTR4HPGDRECQL
SCHEMBL1912176 0.79 HPGD (0.44) SIGMAR1SSTR4SSTR1HPGDRECQL
SCHEMBL356606 0.79 GRM5 (0.60) SSTR4SSTR1USP30
SCHEMBL31654067 0.79 GRM5 (0.60) SSTR4SSTR1USP30
SCHEMBL13929210 0.79 SIGMAR1 (0.69) SIGMAR1DRD4
SCHEMBL25096572 0.79 HRH3 (0.47) SIGMAR1HPGDRECQL
SCHEMBL25103815 0.79 HRH3 (0.47) SIGMAR1HPGDRECQL

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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B SIGMAR1 1436/4885SSTR4 1900/4885SSTR1 2226/4885

“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.