SCHEMBL9967722

SCHEMBL9967722

CC(C)CCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
HTR1A P08908 1/20 0.53
KCNA3 P22001 1/20 0.50

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
SCHEMBL16843071 0.86 SIGMAR1 (0.50) SIGMAR1
SCHEMBL11932475 0.86 SIGMAR1 (0.61) SIGMAR1HTR1A
SCHEMBL14601668 0.83 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL256663 0.82 SIGMAR1 (0.63) SIGMAR1HTR1AKCNA3
SCHEMBL9867159 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL5541146 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL9726237 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL6162058 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL9726233 0.80 SIGMAR1 (0.61) SIGMAR1HTR1AKCNA3
SCHEMBL29363627 0.80 SIGMAR1 (0.60) SIGMAR1HTR1AKCNA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 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 (2 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD SIGMAR1 1773/4885HTR1A 3423/4885KCNA3 3844/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD SIGMAR1 1773/4885HTR1A 3423/4885KCNA3 3844/4885

“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.