SCHEMBL5597034

SCHEMBL5597034

Clc1ncc2cccc3c2c1CCN3CC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
DRD2 P14416 1/20 0.39
PRKD3 O94806 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
CXCR4 P61073 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CDK9 P50750 1/20 0.33
SRC P12931 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ABL1 P00519 1/20 0.32
PARP1 P09874 1/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31

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
SCHEMBL5597050 0.87 DRD2 (0.35) DRD2CDK9HRH3HTR3AKCNH2
SCHEMBL5596483 0.82 C5AR1 (0.35) HRH3
SCHEMBL5596310 0.81 HTR2C (0.41) HTR6CXCR4SLC6A4HTR2AHTR2C
SCHEMBL5596620 0.80 DRD2 (0.39) HTR6DRD2PRKD3PRKD1PRKD2
SCHEMBL5596331 0.78 ROCK2 (0.38) HTR6DRD2PRKD3PRKD1PRKD2
SCHEMBL5597033 0.76 HTR2C (0.44) HTR2AHTR2C
SCHEMBL5596427 0.72 HTR2C (0.46) HTR2AHTR2C
SCHEMBL5597226 0.71 PTPN11 (0.36) CXCR4PIM1PIM2
SCHEMBL5596996 0.71 HTR6 (0.36) HTR6DRD2PRKD3PRKD1PRKD2
SCHEMBL15785123 0.69 ALDH1A1 (0.54) DRD2PARP1HTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A HTR6 1910/4885DRD2 1473/4885PRKD3 287/4885

“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.