SCHEMBL4422965

SCHEMBL4422965

Cc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1C#Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
SLC6A7 Q99884 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
GRM5 P41594 1/20 0.46
LCK P06239 1/20 0.46
KDR P35968 1/20 0.46
TEK Q02763 1/20 0.46

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
SCHEMBL4418456 0.90 NAMPT (0.49) NAMPTSLC6A7
SCHEMBL4430492 0.90 HPGD (0.55) KDM4E
SCHEMBL4422851 0.89 SLC6A7 (0.51) NAMPTSLC6A7
SCHEMBL4422706 0.89 HPGD (0.53) SLC6A7
SCHEMBL4415931 0.88 SLC6A7 (0.61) NAMPTSLC6A7
SCHEMBL4423691 0.87 ALDH1A1 (0.51) SLC6A7
SCHEMBL4419051 0.85 ALDH1A1 (0.49)
SCHEMBL4422925 0.82 SMN1; SMN2 (0.56) KDM4E
SCHEMBL4417361 0.81 SLC6A7 (0.56) NAMPTSLC6A7KDM4E
SCHEMBL4421894 0.80 ALDH1A1 (0.56) KDM4E

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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 NAMPT 3332/4885SLC6A7 234/4885KDM4E 1411/4885

“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.