SCHEMBL8133648

SCHEMBL8133648

Clc1cccc(CNC2=NCCN2)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 6/20 0.52
▸ LMNA P02545 4/20 0.52
▸ ADRA2B P18089 3/20 0.52
▸ ADRA2C P18825 3/20 0.52
▸ ADRA1D P25100 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ ADRA1B P35368 2/20 0.52
▸ NISCH Q9Y2I1 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ SLC22A1 O15245 1/20 0.52
▸ SLC22A3 O75751 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HRH2 P25021 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ SLC47A1 Q96FL8 1/20 0.52

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
SCHEMBL560655 0.86 ADRA2A (0.55) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL560777 0.85 LMNA (0.56) ADRA2ALMNAADRA2BADRA2CADRA1D
Iodide SCHEMBL16227866 0.84 LMNA (0.59) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL8148008 0.83 LMNA (0.52) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL560745 0.83 LMNA (0.55) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL8133645 0.83 SMN1; SMN2 (0.50) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL20017860 0.78 SMN1; SMN2 (0.50) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL561403 0.78 LMNA (0.62) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL8139996 0.78 HTR1D (0.52) ADRA2ALMNAADRA2BADRA2CADRA1D
SCHEMBL8148018 0.77 LMNA (0.46) ADRA2ALMNAADRA2BADRA2CADRA1D

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2932968-B1 COMPOUND FOR TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN INC (US) 2018-01-17 — — EP claimed
EP-2932968-A1 COMPOUND FOR TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2015-10-21 — — EP claimed
EP-2303264-B1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS USING IMIDAZOLINE DERIVATIVES ALLERGAN INC (US) 2018-04-04 — — EP disclosed
US-20180071260-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. 2018-03-15 — — US disclosed
EP-2932968-B1 COMPOUND FOR TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN INC (US) 2018-01-17 — — EP disclosed
US-9849113-B2 Methods of treating α adrenergic mediated conditions ALLERGAN, INC. (US) 2017-12-26 — — US disclosed
US-9849113-B2 Methods of treating α adrenergic mediated conditions ALLERGAN, INC. (US) 2017-12-26 — — US disclosed
US-20170172982-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. 2017-06-22 — — US disclosed
US-20170172982-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. 2017-06-22 — — US disclosed
US-9623006-B2 Methods of treating α adrenergic mediated conditions ALLERGAN, INC. (US) 2017-04-18 — — US disclosed
US-9623006-B2 Methods of treating α adrenergic mediated conditions ALLERGAN, INC. (US) 2017-04-18 — — US disclosed
US-8071636-B2 Methods of treating alpha adrenergic mediated conditions ALLERGAN, INC. (US) 2011-12-06 — — US disclosed
US-8063231-B2 Methods of treating alpha adrenergic mediated conditions ALLERGAN, INC. (US) 2011-11-22 — — US disclosed
US-8063231-B2 Methods of treating alpha adrenergic mediated conditions ALLERGAN, INC. (US) 2011-11-22 — — US disclosed
WO-2009152053-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS USING IMIDAZOLINE DERIVATES ALLERGAN, INC. (US) 2009-12-17 — — WO disclosed
WO-2009152052-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-17 — — WO disclosed
US-20090306398-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US disclosed
US-20090306398-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US disclosed
US-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US disclosed
US-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — 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 (4 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-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2C, ADRA2A ADRA2A 3/4885LMNA 1467/4885ADRA2B 7/4885
US-20090306398-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2C, ADRA2A ADRA2A 3/4885LMNA 1467/4885ADRA2B 7/4885
US-20170172982-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885LMNA 1464/4885ADRA2B 7/4885
US-20180071260-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885LMNA 1464/4885ADRA2B 7/4885

“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.

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