SCHEMBL29640443

SCHEMBL29640443

COc1ccc(CN2CC[C@H](NC(=O)CCc3nnc4ccc(N5CCN(C)CC5)nn34)[C@@H](F)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 12/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL29640508 1.00 RXFP1 (0.51) RXFP1TDP1TP53GAAPOLB
SCHEMBL29640492 0.91 RXFP1 (0.52) RXFP1TDP1GAAPOLBKMT2A
SCHEMBL29640463 0.91 RXFP1 (0.52) RXFP1TDP1GAAPOLBKMT2A
SCHEMBL30104706 0.88 TDP1 (0.55) RXFP1TDP1TP53GAAPOLB
SCHEMBL29711985 0.82 RXFP1 (0.55) RXFP1TDP1POLBKMT2A
SCHEMBL29712010 0.81 RXFP1 (0.53) RXFP1TDP1POLBKMT2A
SCHEMBL29640468 0.81 RXFP1 (0.53) RXFP1TDP1POLBKMT2A
SCHEMBL29712048 0.81 RXFP1 (0.53) RXFP1TDP1POLBKMT2A
SCHEMBL30104709 0.81 RXFP1 (0.53) RXFP1TDP1POLBKMT2A
SCHEMBL29640473 0.79 RXFP1 (0.53) RXFP1POLBKMT2A

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-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS INSERM - INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2022-12-08 US disclosed
CN-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN 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-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS HTT, NTRK2, BDNF RXFP1 1822/4885TDP1 243/4885TP53 3230/4885

“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.