SCHEMBL5585134

SCHEMBL5585134

CC(N)C(Cc1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.53
SLC6A3 Q01959 3/20 0.53
SLC6A4 P31645 3/20 0.47
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
NFKB1 P19838 1/20 0.43
PNMT P11086 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 3/20 0.40
HIF1A Q16665 2/20 0.40
CNR1 P21554 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL3375008 0.90 CYP2D6 (0.52) SLC6A2SLC6A3SLC6A4CYP2D6CYP3A4
SCHEMBL13113800 0.84 CNR1 (0.52) SLC6A2SLC6A3SLC6A4CYP2D6PNMT
Hydrochloric Acid SCHEMBL3373474 0.83 CNR1 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6LMNA
SCHEMBL8627145 0.82 ACP3 (0.54) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
SCHEMBL3374924 0.80 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
SCHEMBL27614823 0.80 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
SCHEMBL3374922 0.80 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL3371830 0.79 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL3371068 0.79 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
SCHEMBL4691720 0.78 SLC6A3 (0.62) SLC6A2SLC6A3SLC6A4CYP2D6PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105914-A1 Substituted sulfonamides MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
CN-1956949-A Substituted sulfonamides MERCK & CO INC (US) 2007-05-02 CN 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-20070105914-A1 Substituted sulfonamides CNR2, CNR1, FAAH SLC6A2 906/4885SLC6A3 1482/4885SLC6A4 1052/4885

“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.