SCHEMBL7247694

SCHEMBL7247694

Fc1ccccc1-c1nnn2c1nc(N1CCN(CCN3CCCC3)CC1)c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 4/20 0.44
TP53 P04637 3/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7242624 0.89 MAPT (0.65) MAPTPOLBPKMRXFP1TP53
SCHEMBL7241998 0.85 KMT2A (0.53) MAPTPOLBRXFP1TP53HPGD
SCHEMBL7243542 0.83 MAPT (0.52) MAPTPOLBPKMRXFP1TP53
SCHEMBL7245777 0.83 MAPT (0.52) MAPTPOLBPKMRXFP1TP53
SCHEMBL7245768 0.83 MAPT (0.53) MAPTPOLBPKMRXFP1TP53
SCHEMBL7243226 0.82 MAPT (0.49) MAPTPOLBPKMRXFP1TP53
SCHEMBL7241756 0.82 MAPT (0.51) MAPTPOLBPKMRXFP1TP53
SCHEMBL7245675 0.82 MAPT (0.54) MAPTPOLBPKMRXFP1TP53
SCHEMBL7242486 0.82 MAPT (0.48) MAPTPOLBPKMRXFP1TP53
SCHEMBL7244034 0.81 POLB (0.55) MAPTPOLBPKMRXFP1TP53

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 MAPT 1447/4885POLB 3552/4885PKM 1840/4885

“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.