SCHEMBL23978377

SCHEMBL23978377

C=CCOCc1cc(N)ccc1C1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
SIGMAR1 Q99720 1/20 0.38
ADRA2C P18825 3/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
HTR2A P28223 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
THPO P40225 1/20 0.34
HTR1F P30939 1/20 0.33
QDPR P09417 1/20 0.33
NR1H2 P55055 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL29310322 0.84 HTR1D (0.50) HTR1DHTR1BADRA2CDRD1CYP1A2
SCHEMBL23978364 0.82 ADRA2A (0.47) HTR1DHTR1BSIGMAR1ADRA2CADRA2A
SCHEMBL26040667 0.78 HTR1D (0.52) HTR1DHTR1BADRA2CDRD1CYP1A2
SCHEMBL23978376 0.77 HTR1D (0.51) HTR1DHTR1BADRA2CDRD2DRD1
SCHEMBL4751849 0.77 MAPT (0.50) ADRA2CADRA2AADRA2BHTR2ADRD2
SCHEMBL26640506 0.74 HTR1D (0.48) HTR1DHTR1BADRA2CHTR2ADRD2
SCHEMBL522141 0.70 HTR1D (0.56) HTR1DHTR1BADRA2CDRD1CYP1A2
SCHEMBL30496473 0.70 QDPR (0.52) HTR1DHTR1BADRA2CHTR2ADRD2
SCHEMBL282999 0.70 QDPR (0.52) HTR1DHTR1BADRA2CHTR2ADRD2
SCHEMBL4562943 0.69 HTR1D (0.49) HTR1DHTR1BADRA2CDRD2CYP3A4

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-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
WO-2021219731-A2 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-11-04 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-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF MITF, PRKDC, PRKACA HTR1D 2745/4885HTR1B 3194/4885SIGMAR1 4344/4885

“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.