SCHEMBL4479637

SCHEMBL4479637

CC(C)N(Cc1cc(F)ccc1C(F)(F)F)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
DPP4 P27487 1/20 0.43
PGR P06401 5/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2D6 P10635 4/20 0.41
EPHX2 P34913 1/20 0.41
SMO Q99835 3/20 0.41
SLC6A3 Q01959 1/20 0.41
FAAH O00519 2/20 0.40
HTR2A P28223 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL27661744 0.87 GPR119 (0.51) SLC6A2SLC6A4DPP4PGRCYP2C9
SCHEMBL4481596 0.85 SLC6A2 (0.52) SLC6A2SLC6A4DPP4PGRCYP2C9
SCHEMBL5983657 0.83 SLC6A4 (0.53) SLC6A2SLC6A4SMO
SCHEMBL6105557 0.80 SLC6A4 (0.43) SLC6A2SLC6A4DPP4PGRCYP2C9
SCHEMBL16269448 0.80 SLC6A4 (0.47) SLC6A2SLC6A4SMOSLC6A3FAAH
SCHEMBL4484252 0.76 TEAD1 (0.45) SLC6A2SLC6A4EPHX2
SCHEMBL16269211 0.75 FAAH (0.49) SLC6A2SLC6A4SMOSLC6A3FAAH
Fumaric Acid SCHEMBL4491556 0.74 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL27641056 0.74 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL4491560 0.74 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP 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
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-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 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 3/4885DPP4 1425/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885DPP4 1289/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A4 2/4885DPP4 2414/4885
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A2 SLC6A2 1/4885SLC6A4 5/4885DPP4 758/4885
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 2/4885DPP4 2063/4885

“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.