SCHEMBL685401

SCHEMBL685401

CCCN(C)CCC(Oc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.67
SLC6A4 P31645 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49

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
SCHEMBL685134 0.87 SLC6A4 (0.70) SLC6A9SLC6A4HRH3
SCHEMBL684950 0.87 SLC6A9 (0.62) SLC6A9SLC6A4HRH3
SCHEMBL13042191 0.85 SLC6A9 (0.54) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
SCHEMBL684106 0.84 SLC6A9 (0.56) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
SCHEMBL10076387 0.84 SLC6A4 (0.79) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
SCHEMBL685396 0.82 SLC6A9 (0.57) SLC6A9SLC6A4HRH3
SCHEMBL5533459 0.82 SLC7A5 (0.55) SLC6A9SLC6A4HRH3CYP2D6CYP2C9
SCHEMBL1582713 0.81 SLC6A9 (0.58) SLC6A9SLC6A4HRH3MAPT
SCHEMBL6565529 0.81 SLC6A9 (0.83) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
Oxalic Acid SCHEMBL5142654 0.81 SLC6A9 (0.68) SLC6A9SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS WILMINGTON SAVINGS FUND SOCIETY, FSB 2017-01-12 US disclosed
US-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2015-05-21 US disclosed
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2012-01-12 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 (3 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-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A9 4130/4885SLC6A4 978/4885HRH3 555/4885
US-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A9 4130/4885SLC6A4 978/4885HRH3 555/4885
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A9 4130/4885SLC6A4 978/4885HRH3 555/4885

“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.