SCHEMBL4575875

SCHEMBL4575875

CCCN1C[C@@H](C)N([C@@H](c2cccc(O[Si](C)(C)C(C)(C)C)c2)c2ccccc2C(=O)N(CC)CC)C[C@H]1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
CYP1A2 P05177 2/20 0.59
OPRD1 P41143 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 2/20 0.48
OPRM1 P35372 2/20 0.48
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL6935967 0.91 CYP3A4 (0.47) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL4575741 0.90 CYP3A4 (0.61) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL7093363 0.90 CYP3A4 (0.61) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL4575871 0.88 CYP3A4 (0.78) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL4575863 0.84 CYP1A2 (0.59) CYP3A4CYP1A2OPRD1OPRM1OPRK1
SCHEMBL4575592 0.84 CYP1A2 (0.59) CYP3A4CYP1A2OPRD1OPRM1OPRK1
SCHEMBL4576061 0.80 OPRD1 (0.58) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL8069321 0.79 OPRD1 (0.53) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL8069179 0.79 OPRD1 (0.53) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL6935970 0.79 CYP3A4 (0.63) CYP3A4CYP1A2OPRD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2016-07-14 US disclosed
US-9296707-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2016-03-29 US disclosed
US-8865721-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2014-10-21 US disclosed
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC (US) 2014-01-30 US disclosed
US-8575169-B2 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-11-05 US disclosed
US-8551998-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-10-08 US disclosed
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US disclosed
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS ENTA HOLDING LLC 2008-08-14 US disclosed
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 US disclosed
US-6919350-B2 Side effect reduction of narcotics ARDENT PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-5807858-A DIARYLMETHYLPIPERAZINE AND PIPERIDINE COMPOUNDS; SIDE EFFECTREDUCTION OF ANALGESICS DELTA PHARMACEUTICAL, INC. (US) 1998-09-15 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 (5 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-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 866/4885CYP1A2 751/4885OPRD1 1/4885
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885

“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.