SCHEMBL768802

SCHEMBL768802

N#CC1CCCc2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.43
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP7 Q9UHL4 2/20 0.32
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
IDO1 P14902 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30308765 0.90 GID4 (0.45) GID4DRD2DRD1DRD4DRD5
SCHEMBL20478461 0.90 GID4 (0.45) GID4DRD2DRD1DRD4DRD5
SCHEMBL3263345 0.79 GID4 (0.40) GID4KDM4EALDH1A1
SCHEMBL768884 0.77 NPSR1 (0.33) NPSR1
SCHEMBL9814134 0.76 CA1 (0.51)
SCHEMBL31124896 0.75 CYP11B2 (0.39) NPSR1
SCHEMBL23854048 0.75 GID4 (0.44) GID4DRD2DRD1DRD4DRD5
SCHEMBL11631593 0.75 KDM4C (0.38) DPP7DRD2DRD1KDM4EALDH1A1
SCHEMBL23813210 0.74 UGT2B17 (0.41) NPSR1ALDH1A1
SCHEMBL13616719 0.74 KMT2A (0.44) GID4KMT2ADRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO 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 (2 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 GID4 300/4885KMT2A 1403/4885NPSR1 104/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 GID4 227/4885KMT2A 1385/4885NPSR1 119/4885

“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.