SCHEMBL1878153

SCHEMBL1878153

[c]1cccnc1[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
CHRNA7 P36544 2/20 0.44
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM5 P08912 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM1 P11229 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
AURKA O14965 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
SCHEMBL2067670 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL8193907 0.95 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL5658103 0.83 KDM4E (0.33) CHRNB2CHRNA4
SCHEMBL8222045 0.74 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL3921349 0.74 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL3921342 0.74 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL998720 0.73 DRD2 (0.38)
SCHEMBL6437642 0.73
SCHEMBL7390574 0.72 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL1162066 0.72 KDM4E (0.35) SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293750-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-10-23 US disclosed
US-8183371-B2 Pyrazines as delta opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-20110105527-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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 (1 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-20110105527-A1 PYRAZINES AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRL1 CHRNB2 138/4885CHRNA4 141/4885CHRNA7 135/4885

“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.