SCHEMBL7249246

SCHEMBL7249246

CCC(=O)N1CCN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.50
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.43
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MEN1 O00255 2/20 0.39
KRAS P01116 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7247667 0.89 RXFP1 (0.48) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7249285 0.89 RXFP1 (0.58) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7243166 0.87 RXFP1 (0.48) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7242713 0.84 RXFP1 (0.46) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7242624 0.82 MAPT (0.65) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7248937 0.81 MAPT (0.54) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7241756 0.81 MAPT (0.51) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7242880 0.81 MAPT (0.48) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL7247694 0.81 MAPT (0.53) RXFP1MAPTNPSR1PKMPOLB
SCHEMBL2658901 0.80 POLB (0.45) RXFP1MAPTNPSR1PKMPOLB

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-20030045532-A1 Triazolo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-06 US claimed
US-20030045532-A1 Triazolo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-06 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-20030045532-A1 Triazolo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA4 RXFP1 1388/4885MAPT 1447/4885NPSR1 95/4885

“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.