SCHEMBL5871105

SCHEMBL5871105

O=C(C1CC1)N(CC1CCCN(CCc2ccccc2)C1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTR1A P08908 3/20 0.50
ADRA1A P35348 3/20 0.50
DRD4 P21917 2/20 0.50
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
ADRA1B P35368 2/20 0.50
HTR2B P41595 2/20 0.50
OPRM1 P35372 4/20 0.48
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CCR2 P41597 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL5870761 0.86 OPRM1 (0.50) ADRA1ADRD4ADRA1BOPRM1KMT2A
SCHEMBL5870735 0.83 CHRNB2 (0.46) OPRM1KMT2ALTA4HEPHX2CHRNB2
SCHEMBL7956811 0.79 HTR1A (0.78) SMN1; SMN2LMNAHTR1AADRA1ADRD4
SCHEMBL7226707 0.78 KDM4E (0.49) OPRM1KMT2ALTA4HEPHX2CHRNB2
SCHEMBL5870753 0.76 OPRD1 (0.62) ADRA1ADRD4ADRA1BOPRM1CHRNA4
SCHEMBL5870682 0.76 OPRD1 (0.62) ADRA1ADRD4ADRA1BOPRM1CHRNA4
SCHEMBL5870685 0.76 OPRD1 (0.62) ADRA1ADRD4ADRA1BOPRM1CHRNA4
SCHEMBL1553017 0.76 HTR1A (0.56) SMN1; SMN2LMNAHTR1AADRA1ADRD4
SCHEMBL10465313 0.74 OPRM1 (0.63) OPRM1
SCHEMBL10465311 0.74 OPRM1 (0.63) OPRM1

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 SMN1; SMN2 3352/4885LMNA 4354/4885HTR1A 211/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 SMN1; SMN2 3352/4885LMNA 4354/4885HTR1A 211/4885

“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.