SCHEMBL29640502

SCHEMBL29640502

CN1CCN(c2ccc3nnc(CCC(=O)NC4CCN(Cc5ccccc5Cl)CC4)n3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
RXFP1 Q9HBX9 9/20 0.56
POLB P06746 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL29640458 0.91 RXFP1 (0.57) KMT2ARXFP1POLBSIGMAR1GAA
SCHEMBL29640209 0.90 RXFP1 (0.56) KMT2ARXFP1POLBSIGMAR1
SCHEMBL29640473 0.88 RXFP1 (0.53) KMT2ARXFP1POLBSIGMAR1
SCHEMBL29712074 0.87 RXFP1 (0.53) KMT2ARXFP1POLBSIGMAR1
SCHEMBL29640507 0.87 RXFP1 (0.53) KMT2ARXFP1POLBSIGMAR1
SCHEMBL29640436 0.86 RXFP1 (0.62) KMT2ARXFP1POLBTDP1
SCHEMBL29640470 0.86 RXFP1 (0.53) KMT2ARXFP1POLBSIGMAR1TDP1
SCHEMBL29640457 0.86 RXFP1 (0.56) RXFP1POLBSIGMAR1GAATDP1
SCHEMBL29640447 0.85 RXFP1 (0.56) KMT2ARXFP1POLBSIGMAR1
SCHEMBL29640490 0.85 RXFP1 (0.56) KMT2ARXFP1POLBSIGMAR1GAA

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 KMT2A 850/4885RXFP1 1822/4885POLB 1595/4885

“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.