SCHEMBL4176732

SCHEMBL4176732

NC(=O)C(c1ccccc1)C1CC1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.51
S1PR3 Q99500 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
CHRM3 P20309 3/20 0.47
KCNQ2 O43526 1/20 0.47
IDO1 P14902 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL22188704 1.00 HTR1E (0.51) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL5049598 0.92 HTR1E (0.57) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL4866289 0.92 HTR1E (0.61) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL14453320 0.91 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5051899 0.91 HTR1E (0.59) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL3639348 0.91 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL14453324 0.91 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL5051927 0.91 MEN1 (0.59) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL28171776 0.90 KCNH2 (0.44) HTR1ES1PR3MEN1KMT2ALMNA
Water SCHEMBL28154809 0.89 MEN1 (0.58) HTR1ES1PR3MEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020244968-A1 FUNGICIDAL N-(PYRID-3-YL)CARBOXAMIDES BASF SE (DE) 2020-12-10 WO disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 HTR1E 234/4885S1PR3 2365/4885MEN1 4274/4885

“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.