SCHEMBL4424697

SCHEMBL4424697

O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.68
HTT P42858 5/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 1/20 0.57
KDM4E B2RXH2 3/20 0.57
NAMPT P43490 1/20 0.55

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
SCHEMBL4311974 0.90 LMNA (0.63) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4326148 0.89 LMNA (0.64) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4415946 0.86 LMNA (0.61) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4417416 0.84 LMNA (0.59) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4413754 0.83 MEN1 (0.52) MEN1KMT2A
SCHEMBL4321986 0.82 MEN1 (0.69) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4423684 0.81 KMT2A (0.70) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL26296804 0.80 SMN1; SMN2 (0.71) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4417155 0.79 SLC6A7 (0.65) MEN1KMT2AALDH1A1NAMPT
SCHEMBL4417052 0.78 HSD11B1 (0.76)

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 LMNA 4354/4885HTT 1727/4885MEN1 4398/4885

“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.