SCHEMBL3601322

SCHEMBL3601322

COC(=O)C1CN(C)C=N1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2C19 P33261 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3586977 0.78 CYP3A4 (0.34) BRD4SLC6A2SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL10553606 0.76
SCHEMBL3593370 0.73 CYP19A1 (0.33)
SCHEMBL3587636 0.73 SMN1; SMN2 (0.36) CYP2C19
SCHEMBL8307543 0.70 BRD4 (0.46) BRD4
SCHEMBL3590039 0.70 ALDH1A1 (0.41)
SCHEMBL9396268 0.64 CYP3A4 (0.32) CYP1A2
SCHEMBL27899843 0.64
SCHEMBL12891657 0.63
SCHEMBL12765089 0.63

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 3 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
US-4853027-A PREEMGENCE, POSTEMERGENCE HOERBICIDES; WEEDS, GRASSES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-01 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 BRD4 1230/4885SLC6A2 355/4885SLC6A4 274/4885

“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.