SCHEMBL4072840

SCHEMBL4072840

CN(C[CH]Cc1ccccc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CHRNA7 P36544 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KCNA5 P22460 2/20 0.39
KCNN4 O15554 1/20 0.39
G6PC1 P35575 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4070870 0.84 MAOB (0.43) LMNATSHRSMN1; SMN2HTT
SCHEMBL4068011 0.83 CHRM5 (0.39) G6PC1
SCHEMBL2227055 0.79 CHRNB2 (0.55) CHRNB2CHRNA4POLBMAPTMAPK1
SCHEMBL9129445 0.76 CHRNA7 (0.57) CHRNB2CHRNA4CHRNA7GAAKCNA5
SCHEMBL4069054 0.76 CHRNB2 (0.57) CHRNB2CHRNA4POLBMAPTMAPK1
SCHEMBL14415500 0.76 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7KCNA5KCNN4
SCHEMBL8726941 0.75 LTA4H (0.52) CHRNB2CHRNA4CHRNA7
SCHEMBL21871562 0.74 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7KCNA5KCNN4
SCHEMBL4067161 0.72 NOTUM (0.47) CHRNB2CHRNA4POLBMAPTMAPK1
SCHEMBL4067661 0.72 CHRM2 (0.48) POLBMAPK1LMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 CHRNB2 279/4885CHRNA4 207/4885POLB 2325/4885

“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.