SCHEMBL5917871

SCHEMBL5917871

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cn2cccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ACKR3 P25106 1/20 0.32
KDM1A O60341 1/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A2 P23975 2/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Hydrochloric Acid SCHEMBL6477044 0.99 CHRNA7 (0.36) CHRNA7IRAK4GRM5ALDH1A1KDM4E
SCHEMBL6418514 0.84 SMYD3 (0.32) IRAK4
SCHEMBL6412479 0.83 NAMPT (0.40) IRAK4GRM5ALDH1A1KDM4EACKR3
SCHEMBL6417953 0.83 IRAK4 (0.33) IRAK4KDM1ASLC6A4SLC6A3SLC6A2
SCHEMBL6411873 0.83 CHRNA7 (0.34) CHRNA7IRAK4KDM1A
SCHEMBL6413652 0.83 HTR3A (0.35) CHRNA7ALDH1A1SLC6A4SLC6A3CHRNB2
SCHEMBL5917810 0.82 CHRNA7 (0.55) CHRNA7IRAK4GRM5
SCHEMBL6418916 0.82 CHRNA7 (0.35) CHRNA7IRAK4KDM1A
SCHEMBL6417943 0.82 IRAK4 (0.33) IRAK4KDM1ASLC6A4SLC6A3SLC6A2
SCHEMBL6411142 0.82 CHRNB2 (0.34) CHRNA7GRM5ALDH1A1ACKR3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US claimed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US claimed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US claimed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (5 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-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE CHRNA7 1/4885IRAK4 2649/4885GRM5 129/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885IRAK4 1663/4885GRM5 384/4885
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY CHRNA7 1475/4885IRAK4 2148/4885GRM5 680/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 CHRNA7 1/4885IRAK4 1829/4885GRM5 74/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 CHRNA7 1/4885IRAK4 2574/4885GRM5 109/4885

“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.