SCHEMBL1790205

SCHEMBL1790205

CC1(C)CCC(NCCc2cccc(-c3cccc(C(N)=O)c3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRK1 P41145 3/20 0.43
OPRD1 P41143 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 4/20 0.41
TRPA1 O75762 1/20 0.41
EPHX2 P34913 1/20 0.41
FAAH2 Q6GMR7 1/20 0.41
MGLL Q99685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
OPRL1 P41146 1/20 0.40
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
CCNT1 O60563 1/20 0.37
CCND1 P24385 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3339836 0.93 MEN1 (0.41) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL12607786 0.92 OPRM1 (0.45) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL1788728 0.89 OPRM1 (0.52) OPRM1OPRK1OPRD1FAAHTRPA1
Trifluoroacetic Acid SCHEMBL3341720 0.86 DPP4 (0.44) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL12651254 0.83 FAAH (0.42) OPRM1OPRK1OPRD1FAAHTRPA1
SCHEMBL1348474 0.83 OPRM1 (0.56) OPRM1OPRK1OPRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL1789031 0.82 OPRM1 (0.55) OPRM1OPRK1OPRD1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3340025 0.82 OPRM1 (0.47) OPRM1OPRK1OPRD1FAAHKDM1A
SCHEMBL1789424 0.81 ALDH1A1 (0.50) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12607888 0.81 OPRM1 (0.51) OPRM1OPRK1OPRD1MEN1KMT2A

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-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO 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 (3 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885OPRD1 4/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 OPRM1 4/4885OPRK1 3/4885OPRD1 2/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885OPRD1 4/4885

“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.