SCHEMBL613873

SCHEMBL613873

O=C1NCCN1CCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL13236669 0.87 ALDH1A1 (0.50) ALDH1A1POLB
SCHEMBL26098509 0.86 DAO (0.46) HTR2AALDH1A1POLB
SCHEMBL2949018 0.86 POLB (0.44) HTR2AALDH1A1POLB
SCHEMBL3946253 0.84 HTR2A (0.44) HTR2A
SCHEMBL26711932 0.84 HTR2A (0.41) HTR2AALDH1A1POLBKCNH2
SCHEMBL22662833 0.83 SMN1; SMN2 (0.53) ALDH1A1POLB
SCHEMBL8406068 0.82 ALOX15 (0.48) HTR2AALDH1A1POLB
SCHEMBL21975820 0.82 HTR2A (0.41) HTR2A
SCHEMBL4180905 0.82 HTR2A (0.40) HTR2AALDH1A1POLB
SCHEMBL24530426 0.80 HTR2A (0.39) HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 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-20120041195-A1 Heterocyclic compounds MAP3K1, MAP3K5, MAP3K2 HTR2A 2608/4885HTR2C 2765/4885ALDH1A1 2347/4885

“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.