SCHEMBL3444754

SCHEMBL3444754

OCC1CCCCN(C(c2ccc(Cl)cc2)C2CCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALOX5 P09917 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL5411107 0.96 CNR1 (0.41) CNR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6265418 0.96 CNR1 (0.41) CNR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6265419 0.96 CNR1 (0.41) CNR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3443966 0.88 CACNA2D1 (0.40) CNR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3446579 0.84 CACNA2D1 (0.44) CNR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6265646 0.79 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3443970 0.77 CTSS (0.47) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL5189804 0.77 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3444305 0.76 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL6262825 0.76 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7132551-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2006-11-07 US disclosed
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter SEPRACOR, INC. (US) 2005-04-14 US disclosed
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof AQUILA BRIAN M (US) 2004-04-22 US disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 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 (4 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-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter PNMT, TAAR1, OPRL1 CNR1 51/4885CACNA2D1 2524/4885CACNA1B 1631/4885
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 CNR1 78/4885CACNA2D1 3322/4885CACNA1B 2623/4885
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 CNR1 78/4885CACNA2D1 3322/4885CACNA1B 2623/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 CNR1 78/4885CACNA2D1 3322/4885CACNA1B 2623/4885

“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.