SCHEMBL29640457

SCHEMBL29640457

CN1CCN(c2ccc3nnc(CCC(=O)NC4CCN(Cc5cccc(Cl)c5)CC4)n3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 8/20 0.56
SIGMAR1 Q99720 4/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 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
SCHEMBL29640209 0.92 RXFP1 (0.56) RXFP1SIGMAR1MAOAMAOBPOLB
SCHEMBL29640473 0.91 RXFP1 (0.53) RXFP1SIGMAR1POLB
SCHEMBL29640507 0.90 RXFP1 (0.53) RXFP1SIGMAR1POLB
SCHEMBL29712074 0.89 RXFP1 (0.53) RXFP1SIGMAR1MAOAMAOBPOLB
SCHEMBL29640470 0.88 RXFP1 (0.53) RXFP1SIGMAR1MAOAMAOBPOLB
SCHEMBL29640447 0.87 RXFP1 (0.56) RXFP1SIGMAR1MAOAMAOBPOLB
SCHEMBL30104706 0.86 TDP1 (0.55) RXFP1SIGMAR1POLBTDP1TP53
SCHEMBL29640502 0.86 KMT2A (0.59) RXFP1SIGMAR1POLBTDP1GAA
SCHEMBL29640490 0.86 RXFP1 (0.56) RXFP1SIGMAR1POLBTDP1GAA
SCHEMBL29640436 0.85 RXFP1 (0.62) RXFP1POLBTDP1

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 1822/4885SIGMAR1 1243/4885MAOA 829/4885

“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.