SCHEMBL5042288

SCHEMBL5042288

OC(Cc1cc(F)ccc1F)(c1ccccc1)C1CN(Cc2ccccc2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.46
SIGMAR1 Q99720 1/20 0.45
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SLC6A2 P23975 6/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL14580286 1.00 DRD4 (0.46) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL14203086 1.00 DRD4 (0.46) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL14203079 0.92 ACHE (0.48) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL14580280 0.92 ACHE (0.48) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL5038396 0.92 ACHE (0.48) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL5437818 0.90 SLC6A2 (0.45) DRD4SIGMAR1SLC6A2CYP1A2CYP3A4
SCHEMBL14203040 0.90 SLC6A2 (0.45) DRD4SIGMAR1SLC6A2CYP1A2CYP3A4
SCHEMBL8284121 0.90 SLC6A2 (0.45) DRD4SIGMAR1SLC6A2CYP1A2CYP3A4
SCHEMBL14203097 0.89 SLC6A2 (0.46) DRD4BCHEACHEBACE1SLC6A2
SCHEMBL14228798 0.89 SLC6A2 (0.46) DRD4BCHEACHEBACE1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354920-B2 Aryl and heteroaryl morpholine derivatives ELI LILLY AND COMPANY (US) 2008-04-08 US disclosed
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
EP-1729754-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
EP-1660185-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1660064-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
US-20060003998-A1 Aryl and heteroaryl morpholine derivatives ELI LILLY AND COMPANY (IN) 2006-01-05 US disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 WO disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
EP-1534694-A1 ARYL AND HETEROARYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2005-06-01 EP disclosed
WO-2005021095-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2004018441-A1 ARYL AND HETEROARYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-03-04 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 (5 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-20060003998-A1 Aryl and heteroaryl morpholine derivatives ADRA2C, HTR2C, ADRB1 DRD4 36/4885SIGMAR1 62/4885BCHE 1717/4885
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 DRD4 6/4885SIGMAR1 127/4885BCHE 1308/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 DRD4 11/4885SIGMAR1 381/4885BCHE 180/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 DRD4 52/4885SIGMAR1 163/4885BCHE 776/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A DRD4 32/4885SIGMAR1 539/4885BCHE 2544/4885

“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.