SCHEMBL4801926

SCHEMBL4801926

CNCCC(Oc1cccc2sccc12)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 4/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.44
KCNE1 P15382 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MC4R P32245 1/20 0.44
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL4806943 0.99 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
SCHEMBL4805560 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
SCHEMBL4804483 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Hydrochloric Acid SCHEMBL4798564 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
SCHEMBL4804877 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Hydrochloric Acid SCHEMBL4801165 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
SCHEMBL4798503 0.75 HTR1D (0.41) OPRM1HTR3A
Oxalic Acid SCHEMBL5869263 0.75 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Oxalic Acid SCHEMBL5869506 0.75 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
SCHEMBL3794441 0.75 MCHR1 (0.37) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ELI LILLY AND COMPANY (US) 2006-01-19 US disclosed
EP-1587782-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE Eli Lilly and Company (US) 2005-10-26 EP disclosed
WO-2004043904-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 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 (1 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-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ADRB3, HTR3C, CHRNB3 SLC6A2 11/4885SLC6A4 29/4885SLC6A3 10/4885

“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.