SCHEMBL28741968

SCHEMBL28741968

O=C(CCc1nnc2ccc(Cl)nn12)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.56
KMT2A Q03164 2/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
SLC6A12 P48065 1/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 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
SCHEMBL29712033 0.96 KMT2A (0.56) SIGMAR1KMT2AMAOAMAOBBCHE
SCHEMBL30104693 0.95 RXFP1 (0.55) SIGMAR1KMT2AMAOAMAOBBCHE
SCHEMBL29711994 0.92 SIGMAR1 (0.57) SIGMAR1KMT2AMAOAMAOBBCHE
SCHEMBL29712062 0.89 KMT2A (0.54) KMT2AMAOAMAOBPOLB
SCHEMBL29640165 0.87 POLB (0.57) SIGMAR1KMT2AMAOAMAOBMEN1
SCHEMBL29640441 0.86 SIGMAR1 (0.56) SIGMAR1MAOAMAOBBCHEACHE
SCHEMBL29640209 0.86 RXFP1 (0.56) SIGMAR1KMT2AMAOAMAOBBCHE
SCHEMBL22966092 0.86 POLB (0.50) SIGMAR1KMT2AMAOAMAOBBCHE
SCHEMBL29712052 0.86 MAOA (0.51) SIGMAR1KMT2AMAOAMAOBBCHE
SCHEMBL24771759 0.84 SIGMAR1 (0.56) SIGMAR1MAOAMAOBBCHEACHE

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 1243/4885KMT2A 850/4885MAOA 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.