SCHEMBL1602609

SCHEMBL1602609

CCN(CC)C(=O)c1ccc(C(Br)=C2CCN(Cc3cccnc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.64
OPRM1 P35372 9/20 0.64
KCNH2 Q12809 5/20 0.64
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OPRK1 P41145 3/20 0.47
CHRM3 P20309 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL1602231 0.87 OPRD1 (0.69) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5444778 0.87 OPRD1 (0.57) OPRD1OPRM1KCNH2OPRK1
SCHEMBL17843396 0.86 OPRD1 (0.49) OPRD1OPRM1KCNH2LMNASMN1; SMN2
SCHEMBL5444769 0.86 OPRD1 (0.70) OPRD1OPRM1KCNH2LMNAHPGD
SCHEMBL1603597 0.83 OPRD1 (0.64) OPRD1OPRM1KCNH2LMNAHPGD
SCHEMBL4999897 0.83 OPRD1 (0.71) OPRD1OPRM1KCNH2HTTOPRK1
SCHEMBL5727386 0.82 OPRD1 (0.68) OPRD1OPRM1KCNH2OPRK1
SCHEMBL5943108 0.81 OPRD1 (0.50) OPRD1OPRM1KCNH2LMNAHPGD
SCHEMBL5943105 0.81 OPRD1 (0.50) OPRD1OPRM1KCNH2LMNAHPGD
SCHEMBL1603178 0.80 OPRD1 (0.61) OPRD1OPRM1KCNH2LMNAHPGD

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-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20070099957-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRA ZENECA AB (SE) 2007-05-03 US disclosed
EP-1590346-B1 4- {'3-(SULFONYLAMINO) PHENYL] '1-(CYCLYMETHYL) PIPERIDIN-4-YLIDENE] METHYL} BENAZMIDE DERIVATIVES AS DELTA OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN, ANXIETY AND FUNCTIONAL GASTROINTESTINAL DISORDER ASTRAZENECA AB (SE) 2006-10-25 EP disclosed
US-20060154964-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRAZENECA AB (SE) 2006-07-13 US disclosed
EP-1590346-A1 4- {'3-(SULFONYLAMINO) PHENYL! '1-(CYCLYMETHYL) PIPERIDIN-4-YLIDENE! METHYL} BENAZMIDE DERIVATIVES AS DELTA OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN, ANXIETY AND FUNCTIONAL GASTROINTESTINAL DISORDER Astrazeneca AB (SE) 2005-11-02 EP disclosed
WO-2004063193-A1 4-{`3-(SULFONYLAMINO) PHENYL! `1-(CYCLYMETHYL) PIPERIDIN-4-YLIDENE! METHYL} BENAZMIDE DERIVATIVES AS DELTA OPIOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN, ANXIETY AND FUNCTIONAL GASTROINTESTINAL DISORDER ASTRAZENECA AB (SE) 2004-07-29 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-20060154964-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof OPRM1, OPRD1, OPRL1 OPRD1 2/4885OPRM1 1/4885KCNH2 113/4885
US-20070099957-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof OPRM1, OPRD1, QDPR OPRD1 2/4885OPRM1 1/4885KCNH2 72/4885
US-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF OPRM1, OPRD1, QDPR OPRD1 2/4885OPRM1 1/4885KCNH2 72/4885

“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.