SCHEMBL1157274

SCHEMBL1157274

NC(Cc1ccncc1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.45
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ DPP4 P27487 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3282596 0.85 PNMT (0.53) PNMTSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL5551844 0.85 SLC6A2 (0.53) PNMTSLC6A2SLC6A4SLC6A3GBA1
SCHEMBL12672176 0.81 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3DPP4LOXL2
SCHEMBL3282252 0.81 NOS1 (0.43) SLC6A2SLC6A4SLC6A3DPP4LOXL2
SCHEMBL1156843 0.81 DPP4 (0.47) SLC6A2SLC6A4SLC6A3DPP4LOXL2
SCHEMBL1157043 0.79 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3DPP4CYP1A2
Hydrochloric Acid SCHEMBL9322527 0.78 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3DPP4
Hydrochloric Acid SCHEMBL9322405 0.78 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL9306936 0.77 DPP4 (0.55) SLC6A2SLC6A4SLC6A3DPP4ALDH1A1
SCHEMBL3282306 0.76 PNMT (0.56) PNMTSLC6A2SLC6A4SLC6A3GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249834-B1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-05-13 — — EP disclosed
EP-2249834-B1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-05-13 — — EP disclosed
EP-2242753-B1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-04-08 — — EP disclosed
EP-2242753-B1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-04-08 — — EP disclosed
US-8809379-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-08-19 — — US disclosed
US-8809379-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-08-19 — — US disclosed
US-8809379-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-08-19 — — US disclosed
US-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2014-07-24 — — US disclosed
US-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2014-07-24 — — US disclosed
US-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2014-07-24 — — US disclosed
US-20090197898-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. 2009-08-06 — — US disclosed
US-20090197898-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. 2009-08-06 — — US disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
WO-2009091874-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 — — EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 — — WO disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 — — 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 (3 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-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A PNMT 224/4885SLC6A2 43/4885SLC6A4 238/4885
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R PNMT 1293/4885SLC6A2 716/4885SLC6A4 1892/4885
US-20090197898-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A PNMT 227/4885SLC6A2 44/4885SLC6A4 245/4885

“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.

Send feedback