SCHEMBL6375985

SCHEMBL6375985

COC(=O)c1ccc(-c2nnc(-c3ccc(N4CCN5CCCC5C4)cc3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.59
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FGFR1 P11362 1/20 0.40
BTK Q06187 1/20 0.40
PPARA Q07869 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL6135132 0.91 HRH3 (0.56) HRH3PDE4DPDE7AALDH1A1ESR1
SCHEMBL6134442 0.90 HRH3 (0.55) HRH3PDE4DPDE7AALDH1A1ESR1
SCHEMBL64179 0.88 HRH3 (0.50) HRH3DRD2DRD4POLBALDH1A1
SCHEMBL6374374 0.87 HRH3 (0.54) HRH3POLBBTKPPARAESR1
SCHEMBL64181 0.85 ALDH1A1 (0.49) HRH3DRD2DRD4POLBALDH1A1
SCHEMBL6134997 0.84 HRH3 (0.47) HRH3PDE4DPDE7AALDH1A1FGFR1
SCHEMBL6132470 0.83 HRH3 (0.45) HRH3DRD2DRD4PDE4DPDE7A
SCHEMBL6369297 0.83 HRH3 (0.46) HRH3DRD2DRD4POLBALDH1A1
SCHEMBL6369956 0.81 HRH3 (0.45) HRH3
SCHEMBL7339724 0.80 ALDH1A1 (0.52) HRH3PDE4DPDE7AALDH1A1

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-20050014685-A1 New compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014685-A1 New compound MAN2B1, MAN2A1, MANBA HRH3 1521/4885DRD2 4443/4885DRD4 4436/4885

“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.