SCHEMBL3411216

SCHEMBL3411216

CC1NCc2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
SIGMAR1 Q99720 1/20 0.36
CHRNA7 P36544 1/20 0.33
RECQL P46063 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL1010980 0.81 CHRNB2 (0.47) DRD2CHRNB2CHRNA4SIGMAR1RECQL
Hydrochloric Acid SCHEMBL31036735 0.76 DRD2 (0.43) DRD2DRD1CHRNB2CHRNA4SIGMAR1
SCHEMBL26620745 0.74 HTR2C (0.42) DRD2DRD1CHRNB2CHRNA4SIGMAR1
SCHEMBL13245795 0.74 DRD2 (0.43) DRD2DRD1CHRNB2CHRNA4SIGMAR1
SCHEMBL28081044 0.73 DRD2 (0.42) DRD2DRD1CHRNB2CHRNA4SIGMAR1
SCHEMBL24316298 0.72 PNMT (0.50) DRD2DRD1CHRNB2CHRNA4SIGMAR1
SCHEMBL30825518 0.72 PNMT (0.46) DRD2DRD1CHRNB2CHRNA4SIGMAR1
SCHEMBL19979180 0.72 PNMT (0.46) DRD2DRD1CHRNB2CHRNA4SIGMAR1
SCHEMBL13302986 0.71 ALDH1A1 (0.47) DRD1CHRNB2CHRNA4CHRNA7
SCHEMBL29858101 0.71 ALDH1A1 (0.47) DRD1CHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) WYETH LLC (US) 2010-10-28 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-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) GRM5, GRM1, GRM2 DRD2 202/4885DRD1 193/4885CHRNB2 183/4885

“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.