SCHEMBL5045901

SCHEMBL5045901

Cc1ccc(-c2ccccc2CC(O)(c2ccccc2)C2CNCCO2)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.70
HTR1A P08908 2/20 0.31
SSTR4 P31391 1/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
ADRB2 P07550 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
ADRA2C P18825 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL5992143 0.91 SLC6A2 (0.78) SLC6A2HTR1ASSTR4SLC6A4SLC6A3
SCHEMBL5045862 0.87 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5048152 0.86 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL14203100 0.84 SLC6A2 (0.74) SLC6A2HTR1ASSTR4SLC6A4SLC6A3
SCHEMBL14203037 0.84 SLC6A2 (0.74) SLC6A2HTR1ASSTR4SLC6A4SLC6A3
SCHEMBL14202975 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL8284213 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5045876 0.83 SLC6A2 (0.74) SLC6A2HTR1ASSTR4SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5045880 0.83 SLC6A2 (0.74) SLC6A2HTR1ASSTR4SLC6A4SLC6A3
SCHEMBL6438254 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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
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
EP-1660065-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS 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-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-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO 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 SLC6A2 19/4885HTR1A 21/4885SSTR4 179/4885
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885HTR1A 15/4885SSTR4 517/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885HTR1A 28/4885SSTR4 2313/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885HTR1A 17/4885SSTR4 392/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A2 1/4885HTR1A 6/4885SSTR4 77/4885

“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.