SCHEMBL13595232

SCHEMBL13595232

O=C1c2nc(N3CCOCC3)ccc2OCC2CNCCN12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
HTR2C P28335 16/20 0.38
HTR2B P41595 16/20 0.38
HTR2A P28223 15/20 0.38
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PIK3CB P42338 1/20 0.33

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
Hydrochloric Acid SCHEMBL4415979 0.99 AXL (0.40) AXLHTR2CHTR2BHTR2APIM1
SCHEMBL13595230 0.83 HTR2C (0.43) AXLHTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL4406505 0.82 HTR2C (0.42) AXLHTR2CHTR2BHTR2A
SCHEMBL13595233 0.81 HTR2C (0.47) AXLHTR2CHTR2BHTR2A
SCHEMBL14480662 0.80 HTR2C (0.43) HTR2CHTR2BHTR2APIK3CB
Hydrochloric Acid SCHEMBL4411296 0.80 HTR2C (0.46) AXLHTR2CHTR2BHTR2A
SCHEMBL13595226 0.77 AXL (0.46) AXLHTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL4408955 0.76 AXL (0.46) AXLHTR2CHTR2BHTR2A
SCHEMBL14480498 0.74 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL4419512 0.73 USP30 (0.47)

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
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A AXL 1428/4885HTR2C 1/4885HTR2B 9/4885

“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.