SCHEMBL1573787

SCHEMBL1573787

CN1C2CCC1CC(N1C(=O)c3ccccc3C1=O)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CASP3 P42574 1/20 0.44
CCR5 P51681 1/20 0.44
TSHR P16473 2/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 2/20 0.42
OPRM1 P35372 2/20 0.42
CHRM3 P20309 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DDB1 Q16531 1/20 0.42

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
SCHEMBL3759811 1.00 CHRNB4 (0.50) CHRNB4CHRNA3HTR3EHTR3BCHRNA7
SCHEMBL7227680 1.00 CHRNB4 (0.50) CHRNB4CHRNA3HTR3EHTR3BCHRNA7
SCHEMBL13016514 0.87 CHRNB4 (0.44) CHRNB4CHRNA3HTR3EHTR3BCHRNA7
SCHEMBL7281339 0.85 ALDH1A1 (0.45) CHRNB4CHRNA3HTR3AKMT2AALDH1A1
SCHEMBL7272095 0.85 ALDH1A1 (0.45) CHRNB4CHRNA3HTR3AKMT2AALDH1A1
SCHEMBL7272100 0.85 ALDH1A1 (0.45) CHRNB4CHRNA3HTR3AKMT2AALDH1A1
SCHEMBL9625796 0.82 L3MBTL1 (0.54) L3MBTL1TSHRKMT2ACHRM2OPRM1
SCHEMBL2665681 0.82 L3MBTL1 (0.54) L3MBTL1TSHRKMT2ACHRM2OPRM1
SCHEMBL7279088 0.80 HTR3A (0.51) CHRNB4CHRNA3HTR3AKMT2AALDH1A1
SCHEMBL7276878 0.80 HTR3A (0.51) CHRNB4CHRNA3HTR3AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
EP-1140085-B1 AZABICYCLOALKANES AS CCR5 MODULATORS PHIVCO UK LTD (GB) 2011-04-13 EP disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 US disclosed
US-6531484-B2 Viricides for preventing infection by HIV, treating infection by HIV, delaying of the onset of AIDS, or treating AIDS MERCK & CO., INC. 2003-03-11 US disclosed
US-20020198178-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-12-26 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA CHRNB4 4608/4885CHRNA3 4744/4885HTR3E 1155/4885
US-20020198178-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CCL5 CHRNB4 3625/4885CHRNA3 2320/4885HTR3E 2764/4885

“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.