SCHEMBL5596271

SCHEMBL5596271

NC1CCC(CN2CCc3cnc(Cl)c4cccc2c34)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
CDK9 P50750 1/20 0.34
NOTUM Q6P988 1/20 0.33
MERTK Q12866 8/20 0.33
TRPM5 Q9NZQ8 1/20 0.32
AXL P30530 2/20 0.31
TYRO3 Q06418 2/20 0.31
SCN9A Q15858 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL5596149 0.87 NOTUM (0.35) DRD2CDK9NOTUMTRPM5SCN9A
SCHEMBL5596620 0.87 DRD2 (0.39) DRD2CDK9NOTUMTRPM5
SCHEMBL5596683 0.82 C5AR1 (0.35) CDK9NOTUMHRH3
SCHEMBL5596820 0.81 OPRM1 (0.34) DRD2CDK9
SCHEMBL5597050 0.80 DRD2 (0.35) DRD2CDK9MERTKAXLTYRO3
SCHEMBL5596733 0.78 NOTUM (0.35) DRD2NOTUMMERTKAXLTYRO3
SCHEMBL5596769 0.78 MEN1 (0.43) MERTKAXLTYRO3KCNH2
SCHEMBL5596752 0.76 PTPN11 (0.34) DRD2
SCHEMBL5596996 0.73 HTR6 (0.36) DRD2CDK9NOTUM
SCHEMBL5415547 0.69 HTR2C (0.44) DRD2KCNH2

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 DRD2 1473/4885CDK9 1239/4885NOTUM 4510/4885

“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.