SCHEMBL30104693

SCHEMBL30104693

O=C(CCCc1nnc2ccc(Cl)nn12)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
SIGMAR1 Q99720 13/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
KMT2A Q03164 2/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
SLC6A12 P48065 1/20 0.49
MEN1 O00255 1/20 0.49

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 0.95 SIGMAR1 (0.56) SIGMAR1MAOAMAOBKMT2ABCHE
SCHEMBL29712033 0.92 KMT2A (0.56) RXFP1SIGMAR1MAOAMAOBKMT2A
SCHEMBL29711994 0.88 SIGMAR1 (0.57) RXFP1SIGMAR1MAOAMAOBKMT2A
SCHEMBL29640447 0.85 RXFP1 (0.56) RXFP1SIGMAR1MAOAMAOBKMT2A
SCHEMBL29712062 0.84 KMT2A (0.54) MAOAMAOBKMT2A
SCHEMBL22966101 0.84 ACHE (0.47) KMT2ABCHEACHESLC6A12MEN1
SCHEMBL29640165 0.83 POLB (0.57) SIGMAR1MAOAMAOBKMT2AMEN1
SCHEMBL24771759 0.82 SIGMAR1 (0.56) SIGMAR1MAOAMAOBBCHEACHE
SCHEMBL29640441 0.82 SIGMAR1 (0.56) SIGMAR1MAOAMAOBBCHEACHE
SCHEMBL22966092 0.81 POLB (0.50) RXFP1SIGMAR1MAOAMAOBKMT2A

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 1 patent. 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

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.