SCHEMBL3590648

SCHEMBL3590648

CCCC1=NC(C(=O)OC)CN1CCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.38
BRD4 O60885 1/20 0.33
SLC6A3 Q01959 1/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3584401 0.85 FKBP1A (0.36) FKBP1ABRD4CYP3A4MAPTMAPK1
SCHEMBL3589569 0.82 FKBP1A (0.39) FKBP1ABRD4CYP3A4MAPTMAPK1
SCHEMBL3586977 0.65 CYP3A4 (0.34) FKBP1ABRD4SLC6A3CYP3A4MAPT
SCHEMBL11997296 0.65 BRD4 (0.63) FKBP1ABRD4ALDH1A1SMN1; SMN2
SCHEMBL3586980 0.65 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL10749202 0.63 FKBP1A (0.44) FKBP1ABRD4CYP3A4MAPTMAPK1
SCHEMBL13146444 0.62 BRD4 (0.46) FKBP1ABRD4CYP3A4MAPTSMN1; SMN2
SCHEMBL29306521 0.62 CYP3A4 (0.45) FKBP1ABRD4CYP3A4MAPTMAPK1
SCHEMBL27425673 0.62 FKBP1A (0.52) FKBP1ABRD4CYP3A4MAPTMAPK1
SCHEMBL28208165 0.62 BRD4 (0.35) BRD4ALDH1A1

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-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 FKBP1A 1151/4885BRD4 1230/4885SLC6A3 247/4885

“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.