SCHEMBL5597053

SCHEMBL5597053

c1ccc(N2CCCC(N3CCc4cncc5cccc3c45)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GRIN2B Q13224 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
ADORA2A P29274 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 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
SCHEMBL5596693 0.83 DRD2 (0.40) DRD2HTR2AHTR6ADRA2AADRA2B
SCHEMBL5596515 0.80 DRD2 (0.39) DRD2
SCHEMBL5596672 0.79 OPRL1 (0.36) MAPTLMNAGAAKMT2AGPBAR1
SCHEMBL5596537 0.79 OPRM1 (0.33) GAA
SCHEMBL5596912 0.79 GAA (0.34) GRIN2BGAAGPBAR1
SCHEMBL5596332 0.79 EED (0.39) HSD17B10HTR1AKMT2AADRA2AGPBAR1
SCHEMBL5596832 0.79 HTR2C (0.40) MAPK1HTR2AGAAADRA2AADRA2B
SCHEMBL5596530 0.79 OPRM1 (0.31) GAA
SCHEMBL5596793 0.79 DRD2 (0.47) MAPK1DRD2MEN1KMT2A
SCHEMBL5596494 0.79 DRD2 (0.36) DRD2GPBAR1

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 ESR1 1993/4885ESR2 2965/4885MAPT 3316/4885

“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.