SCHEMBL4417103

SCHEMBL4417103

Cc1cccc(C)c1N1CCN(C(=O)c2cccc(C#Cc3ccccc3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
GRM5 P41594 1/20 0.53
AR P10275 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL4417079 0.84 TSHR (0.76) MAPTSMN1; SMN2TSHRUSP2LMNA
SCHEMBL4422757 0.84 LMNA (0.63) MAPTSMN1; SMN2TSHRUSP2LMNA
SCHEMBL4413971 0.83 GRM5 (0.76) TSHRLMNAMAPK1GRM5POLB
SCHEMBL4424605 0.82 GBA1 (0.61) GAALMNAALDH1A1
SCHEMBL4422744 0.81 HPGD (0.54)
SCHEMBL4429432 0.80 LMNA (0.60) MAPTSMN1; SMN2TSHRUSP2LMNA
SCHEMBL4425115 0.80 LMNA (0.64) MAPTGAASMN1; SMN2TSHRUSP2
SCHEMBL16720328 0.80 TSHR (0.72) MAPTSMN1; SMN2TSHRUSP2LMNA
SCHEMBL4415241 0.79 HPGD (0.64)
SCHEMBL4419169 0.79 TSHR (0.63) MAPTSMN1; SMN2TSHRUSP2LMNA

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 MAPT 2108/4885GAA 4319/4885ATM 4288/4885

“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.