SCHEMBL10028252

SCHEMBL10028252

COC1(C(CN(C)C)c2ccc(O)cc2)CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.68
SLC6A4 P31645 8/20 0.68
SLC6A3 Q01959 5/20 0.68
OPRM1 P35372 1/20 0.68
LMNA P02545 1/20 0.56
CNR1 P21554 1/20 0.56
HTR2A P28223 1/20 0.56
HRH1 P35367 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL6392452 0.86 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL3451293 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL2906661 0.82 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Water SCHEMBL3405499 0.81 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL10772550 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL3277527 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL34864 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL34863 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Hydrochloric Acid SCHEMBL10491682 0.79 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL3345158 0.79 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3OPRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487132-B2 Compounds for inhibition of 5-hydroxytryptamine and norepinephrine reuptake or for treatment of depression disorders, their preparation processes and uses thereof SHANDONG LUYE PHARMACEUTICAL CO. LTD. (CN) 2013-07-16 US disclosed
US-20120190741-A1 COMPOUNDS FOR INHIBITION OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE REUPTAKE OR FOR TREATMENT OF DEPRESSION DISORDERS, THEIR PREPARATION PROCESSES AND USES THEREOF SHANDONG LUYE PHARMACEUTICAL CO. LTD. (CN) 2012-07-26 US disclosed
US-8178724-B2 Compounds for inhibition of 5-hydroxytryptamine and norepinephrine reuptake or for treatment of depression disorders, their preparation processes and uses thereof SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2012-05-15 US disclosed
US-20090118368-A1 COMPOUNDS FOR INHIBITION OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE REUPTAKE OR FOR TREATMENT OF DEPRESSION DISORDERS, THEIR PREPARATION PROCESSES AND USES THEREOF Li, Youxin (CN) 2009-05-07 US 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 (2 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-20090118368-A1 COMPOUNDS FOR INHIBITION OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE REUPTAKE OR FOR TREATMENT OF DEPRESSION DISORDERS, THEIR PREPARATION PROCESSES AND USES THEREOF TPH1, SLC6A2, HTR1A SLC6A2 2/4885SLC6A4 4/4885SLC6A3 25/4885
US-20120190741-A1 COMPOUNDS FOR INHIBITION OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE REUPTAKE OR FOR TREATMENT OF DEPRESSION DISORDERS, THEIR PREPARATION PROCESSES AND USES THEREOF TPH1, SLC6A2, HTR1A SLC6A2 2/4885SLC6A4 4/4885SLC6A3 25/4885

“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.