SCHEMBL4422925

SCHEMBL4422925

Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52

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
SCHEMBL4430492 0.93 HPGD (0.55) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4420161 0.89 ALDH1A1 (0.57) SMN1; SMN2TSHRALDH1A1
SCHEMBL4423741 0.88 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4423124 0.88 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4419702 0.86 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4429444 0.85 KDM4E (0.69) ALDH1A1LMNAKDM4EHPGDMAPK1
SCHEMBL4422956 0.85 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EHPGDMAPK1
SCHEMBL4422955 0.84 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHPGDMEN1
SCHEMBL4419054 0.84 HPGD (0.58) SMN1; SMN2TSHRALDH1A1LMNAKDM4E
SCHEMBL4422924 0.84 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2APOLB

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 SMN1; SMN2 3956/4885TSHR 194/4885ALDH1A1 3104/4885

“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.