SCHEMBL21146830

SCHEMBL21146830

CC(C)c1ccc(-n2cc(C(C)(C)c3ccc(N(C)C)c(F)c3)cn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.34
MTOR P42345 1/20 0.32
ESRRA P11474 1/20 0.32
NOTUM Q6P988 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NTRK1 P04629 1/20 0.31
FLT3 P36888 1/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL21147045 0.80 CASR (0.34) ESRRANOTUMPTGS1PTGS2
SCHEMBL20078232 0.68 NPC1 (0.35) MTORNOTUMRXRAGRIN1GRIN2B
SCHEMBL24352271 0.68 NOTUM (0.46) GCGRMTORESRRANOTUMEGLN1
SCHEMBL14268227 0.67 LMNA (0.38) PTGS1PTGS2
SCHEMBL22902068 0.66 NOTUM (0.50) MTORESRRANOTUMEGLN1
SCHEMBL21721047 0.64 EGLN1 (0.40) GCGREGLN1
SCHEMBL24908596 0.64 CASR (0.42) GCGRNOTUMPTGS2NTRK1FLT3
SCHEMBL13528292 0.64 CYP1A2 (0.40) PTGS1PTGS2
SCHEMBL13657996 0.62 GRM4 (0.40) MTORNOTUM
SCHEMBL15119356 0.62 KDM5B (0.43) MTORNOTUM

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
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 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 (2 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT GCGR 2769/4885MTOR 1290/4885ESRRA 3678/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT GCGR 3075/4885MTOR 1550/4885ESRRA 3658/4885

“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.