SCHEMBL4417079

SCHEMBL4417079

O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.76
LMNA P02545 3/20 0.76
MAPK1 P28482 3/20 0.76
USP2 O75604 2/20 0.76
MAPT P10636 1/20 0.76
POLB P06746 4/20 0.61
ALDH1A1 P00352 2/20 0.59
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC6A7 Q99884 1/20 0.57
HPGD P15428 1/20 0.56

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
SCHEMBL16720328 0.95 TSHR (0.72) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4425115 0.92 LMNA (0.64) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4416942 0.91 MAPK1 (0.74) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4428576 0.91 LMNA (0.71) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4423687 0.91 SMN1; SMN2 (0.66) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4419169 0.91 TSHR (0.63) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4422757 0.91 LMNA (0.63) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4429432 0.90 LMNA (0.60) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4420309 0.88 ALDH1A1 (0.62) TSHRLMNAMAPK1USP2MAPT
SCHEMBL4418537 0.88 DRD2 (0.62) TSHRLMNAMAPK1USP2MAPT

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 TSHR 194/4885LMNA 4354/4885MAPK1 1370/4885

“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.