SCHEMBL21723552

SCHEMBL21723552

O=C(O)[C@@H]1CCCN1c1cccc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21723551 1.00 KMT2A (0.46) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL25272332 0.84 KMT2A (0.46) KMT2AMEN1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL28552581 0.84 ADORA2A (0.45) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL21724419 0.80 KMT2A (0.43) KMT2ASMN1; SMN2MMP8MMP12MMP13
SCHEMBL21724420 0.80 KMT2A (0.43) KMT2ASMN1; SMN2MMP8MMP12MMP13
SCHEMBL29220879 0.80 KMT2A (0.54) KMT2ASMN1; SMN2HSD11B1
SCHEMBL29220881 0.80 KMT2A (0.54) KMT2ASMN1; SMN2HSD11B1
SCHEMBL8925027 0.78 KMT2A (0.41) KMT2AMEN1CYP1A2SMN1; SMN2MMP8
SCHEMBL21853250 0.77 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2L3MBTL1ALDH1A1HSD17B10
SCHEMBL21853236 0.77 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2L3MBTL1ALDH1A1HSD17B10

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
EP-3836919-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF Recreo Pharmaceuticals Inc. (US) 2021-06-23 EP disclosed
US-20210163479-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2021-06-03 US disclosed
WO-2020037155-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF RECREO PHARMACEUTICALS LLC (US) 2020-02-20 WO 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-20210163479-A1 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA1, FOXM1 KMT2A 1984/4885HTR3E 515/4885HTR3B 177/4885

“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.