SCHEMBL5597035

SCHEMBL5597035

Brc1cc2c3c(cncc3c1)CCN2CC1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
PIM1 P11309 1/20 0.34
FPR2 P25090 1/20 0.32
CDK9 P50750 1/20 0.31
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL5596965 0.86 NOTUM (0.34) NOTUM
SCHEMBL5596885 0.82 NOTUM (0.31) NOTUM
SCHEMBL5596331 0.81 ROCK2 (0.38) NOTUMPIM1CDK9DRD2HTR6
SCHEMBL5596844 0.77 NOTUM (0.36) NOTUMPIM1FPR2CDK9DRD2
SCHEMBL5597136 0.76 HTR2C (0.47)
SCHEMBL5597030 0.73 PRKCZ (0.34) PIM1DRD2HTR6
SCHEMBL5596405 0.70
SCHEMBL5596733 0.68 NOTUM (0.35) NOTUMDRD2
SCHEMBL5596416 0.68 NOTUM (0.37) NOTUMDRD2HTR6
SCHEMBL15785123 0.67 ALDH1A1 (0.54) NOTUMDRD2

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 NOTUM 4510/4885PIM1 3649/4885FPR2 3865/4885

“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.