SCHEMBL5871080

SCHEMBL5871080

Clc1ccc(C(C2CCC2)C(Nc2ccccc2)C2CCCNC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.42
SLC6A4 P31645 10/20 0.42
SLC6A3 Q01959 10/20 0.42
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7558108 0.70 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL3444531 0.67 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10677201 0.66 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4479313 0.66 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7649264 0.65 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL7407199 0.65 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL8983761 0.64 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL2069658 0.63 SLC6A4 (0.67) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL973412 0.63 GBA1 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL19121854 0.63 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3

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-7129228-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. (US) 2006-10-31 US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 US disclosed
US-6677332-B1 AMIDE-SUBSTITUTED PIPERIDINE OR AZEPINE DERIVATIVES TO TREAT DRUG ABUSE AND TINNITUS SEPRACOR, INC. 2004-01-13 US disclosed
US-6645980-B1 Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals SEPRACOR INC. 2003-11-11 US disclosed
US-6635661-B2 Piperidinyl amide compounds SEPRACOR INC. 2003-10-21 US disclosed
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. 2002-02-07 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-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 SLC6A2 540/4885SLC6A4 448/4885SLC6A3 511/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 SLC6A2 540/4885SLC6A4 448/4885SLC6A3 511/4885

“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.