SCHEMBL5042302

SCHEMBL5042302

COc1ccc(OC)c(CCl)c1.[MgH2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
ADRA1A P35348 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
HSD17B10 Q99714 1/20 0.56
HTR2A P28223 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
AOC3 Q16853 1/20 0.53
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ALDH1A1 P00352 2/20 0.47
GFER P55789 1/20 0.47
APLNR P35414 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL1055293 0.98 IDO1 (0.61) IDO1ADRA1ATAAR1HSD17B10HTR2A
Bromide SCHEMBL27566990 0.96 IDO1 (0.59) IDO1ADRA1ATAAR1HSD17B10HTR2A
SCHEMBL31068484 0.87 IDO1 (0.50) IDO1ADRA1ATAAR1HSD17B10HTR2A
SCHEMBL30284879 0.87 IDO1 (0.50) IDO1ADRA1ATAAR1HSD17B10HTR2A
SCHEMBL7060410 0.82 ADRA1A (0.68) IDO1ADRA1ATAAR1HSD17B10HTR2A
SCHEMBL590943 0.82 APLNR (0.63) IDO1ADRA1ATAAR1HTR2ACA12
SCHEMBL5252421 0.81 IDO1 (0.66) IDO1ADRA1ATAAR1HSD17B10HTR2A
SCHEMBL9676713 0.81 ALDH1A1 (0.51) IDO1ADRA1ATAAR1HSD17B10HTR2A
SCHEMBL3205585 0.80 HCRTR1 (0.46) IDO1ADRA1ATAAR1HSD17B10HTR2A
SCHEMBL2904499 0.80 SLC6A2 (0.45) ALDH1A1MEN1KMT2A

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 16 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
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-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
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 IDO1 165/4885ADRA1A 10/4885TAAR1 57/4885
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 IDO1 425/4885ADRA1A 62/4885TAAR1 48/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 IDO1 1400/4885ADRA1A 65/4885TAAR1 114/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 IDO1 312/4885ADRA1A 85/4885TAAR1 41/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A IDO1 548/4885ADRA1A 51/4885TAAR1 152/4885

“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.