SCHEMBL13595231

SCHEMBL13595231

O=C1c2cc(F)ccc2OCC2CNCCN12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.46
HTR2B P41595 17/20 0.46
HTR2A P28223 14/20 0.46
AXL P30530 1/20 0.44
FABP6 P51161 1/20 0.43

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 SCHEMBL4410961 0.99 HTR2C (0.45) HTR2CHTR2BHTR2AAXLFABP6
SCHEMBL13595228 0.85 HTR2C (0.64) HTR2CHTR2BHTR2AAXL
SCHEMBL13595218 0.85 HTR2C (0.64) HTR2CHTR2BHTR2AAXL
SCHEMBL13595225 0.85 HTR2C (0.46) HTR2CHTR2BHTR2AAXL
SCHEMBL13595220 0.84 HTR2C (0.66) HTR2CHTR2BHTR2AAXL
Hydrochloric Acid SCHEMBL4410966 0.84 HTR2C (0.62) HTR2CHTR2BHTR2AAXL
Hydrochloric Acid SCHEMBL4407112 0.84 HTR2C (0.45) HTR2CHTR2BHTR2AAXL
Hydrochloric Acid SCHEMBL4408050 0.84 HTR2C (0.62) HTR2CHTR2BHTR2AAXL
Hydrochloric Acid SCHEMBL4408432 0.83 HTR2C (0.65) HTR2CHTR2BHTR2AAXL
SCHEMBL13595236 0.82 HTR2C (0.49) HTR2CHTR2BHTR2AAXL

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 HTR2C 1/4885HTR2B 9/4885HTR2A 2/4885

“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.