SCHEMBL29640476

SCHEMBL29640476

CN1CCN(c2ccc3nnc(CCC(=O)NC4CCN(c5ccccc5)CC4)n3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.59
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.54
TP53 P04637 1/20 0.52
POLB P06746 3/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL29640436 0.92 RXFP1 (0.62) RXFP1TDP1POLBKMT2A
SCHEMBL29711976 0.89 RXFP1 (0.59) RXFP1TDP1POLBKMT2A
SCHEMBL29640209 0.89 RXFP1 (0.56) RXFP1POLBKMT2A
SCHEMBL29640490 0.89 RXFP1 (0.56) RXFP1TDP1GAAPOLBKMT2A
Hydrochloric Acid SCHEMBL29640495 0.88 RXFP1 (0.60) RXFP1GAAPOLBKMT2A
SCHEMBL29640465 0.87 RXFP1 (0.55) RXFP1TDP1GAAPOLBKMT2A
SCHEMBL24770438 0.86 RXFP1 (0.59) RXFP1TDP1POLBKMT2A
SCHEMBL29712074 0.86 RXFP1 (0.53) RXFP1POLBKMT2A
SCHEMBL29640458 0.84 RXFP1 (0.57) RXFP1GAAPOLBKMT2A
SCHEMBL29640502 0.84 KMT2A (0.59) RXFP1TDP1GAAPOLBKMT2A

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 3 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
EP-4010341-A1 TRKB POSITIVE ALLOSTERIC MODULATORS Université de Strasbourg (FR) 2022-06-15 EP 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 243/4885GAA 1625/4885

“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.