SCHEMBL12574191

SCHEMBL12574191

CCNC(=O)[C@H]1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
HTR2C P28335 1/20 0.47
KCNH2 Q12809 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRB2 P47870 2/20 0.40

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
SCHEMBL3935665 1.00 GNAI3 (0.51) GNAI3GNAO1GNAI1HTR2CKCNH2
Hydrochloric Acid SCHEMBL2015546 0.98 GNAI3 (0.54) GNAI3GNAO1GNAI1HTR2CKCNH2
Hydrochloric Acid SCHEMBL2015550 0.98 GNAI3 (0.54) GNAI3GNAO1GNAI1HTR2CKCNH2
SCHEMBL3936020 0.89 KDM4E (0.58) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL1018964 0.88 GNAI3 (0.64) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL2300804 0.87
SCHEMBL21661360 0.87 CHRNB2 (0.60) GNAI3GNAO1GNAI1HTR2CCHRNB2
SCHEMBL2149339 0.87 CHRNB2 (0.60) GNAI3GNAO1GNAI1HTR2CCHRNB2
Hydrochloric Acid SCHEMBL6803030 0.86 GNAI3 (0.67) GNAI3GNAO1GNAI1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8421540 0.86 GNAI3 (0.67) GNAI3GNAO1GNAI1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 GNAI3 1194/4885GNAO1 1046/4885GNAI1 1000/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 GNAI3 524/4885GNAO1 529/4885GNAI1 479/4885

“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.