SCHEMBL5127330

SCHEMBL5127330

CC(C)CN(Cc1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.59
SLC6A4 P31645 12/20 0.59
SLC6A3 Q01959 4/20 0.59
KDM4E B2RXH2 2/20 0.46
RORC P51449 3/20 0.45
PGR P06401 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5734230 0.91 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KDM4ERORC
SCHEMBL5670810 0.88 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3RORCPGR
SCHEMBL27661559 0.88 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3RORCPGR
SCHEMBL5120703 0.82 SLC6A2 (0.60) SLC6A2SLC6A4KDM4EPGRCYP2D6
SCHEMBL4497702 0.80 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3PGRCYP2D6
SCHEMBL5440605 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KDM4ECYP2D6
SCHEMBL4500367 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PGRCYP2D6
SCHEMBL5925320 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3RORC
SCHEMBL5993914 0.77 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3RORC
Acetic Acid SCHEMBL5993263 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432280-B2 3-aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2008-10-07 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-20070066663-A1 3-Aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2007-03-22 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
CN-1889940-A Treatment of personality changes due to hot flashes, impulse control disorders and systemic medical conditions LILLY CO ELI (US) 2007-01-03 CN disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
EP-1638560-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
WO-2005000305-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 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-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 2/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 2/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 3/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A2 1/4885SLC6A4 2/4885SLC6A3 4/4885
US-20070066663-A1 3-Aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A1 SLC6A2 1/4885SLC6A4 6/4885SLC6A3 2/4885

“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.