SCHEMBL5887977

SCHEMBL5887977

O=C(O)N1CC[C@H](N(C(=O)c2cccc(Cl)c2Cl)C2CCCCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.58
SLC6A4 P31645 11/20 0.58
SLC6A3 Q01959 11/20 0.58
KCNH2 Q12809 7/20 0.58
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.38
HSD11B1 P28845 1/20 0.38
P2RX7 Q99572 1/20 0.38
NOTUM Q6P988 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL5328738 0.99 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL5888157 0.98 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL5888222 0.91 HPGD (0.54) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL5887986 0.91 HPGD (0.54) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL5888140 0.90 HPGD (0.52) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL5371456 0.89 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL5887975 0.89 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL4520405 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL4520408 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL5888078 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2

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-7122683-B2 Amides useful as monoamine re-uptake inhibitors PFIZER INC. (US) 2006-10-17 US disclosed
US-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2006-05-25 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 (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-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting ADRB3, AOC3, HRH4 SLC6A2 33/4885SLC6A4 49/4885SLC6A3 41/4885

“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.