SCHEMBL29640441

SCHEMBL29640441

O=C(CCc1nnc2cccnn12)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.56
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 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
SCHEMBL28741968 0.86 SIGMAR1 (0.56) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL29712033 0.83 KMT2A (0.56) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL30104693 0.82 RXFP1 (0.55) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL29640165 0.82 POLB (0.57) SIGMAR1MAOAMAOBPOLB
SCHEMBL29640464 0.81 SIGMAR1 (0.50) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL29640209 0.80 RXFP1 (0.56) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL29712052 0.80 MAOA (0.51) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL22966092 0.80 POLB (0.50) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL22966086 0.79 SIGMAR1 (0.59) SIGMAR1BCHEACHEMAOAMAOB
SCHEMBL29711994 0.79 SIGMAR1 (0.57) SIGMAR1BCHEACHEMAOAMAOB

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 SIGMAR1 1243/4885BCHE 2418/4885ACHE 1013/4885

“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.