SCHEMBL4982177

SCHEMBL4982177

NC(C(=O)NCCCCCO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.52
CNR1 P21554 2/20 0.48
CCR3 P51677 1/20 0.46
CNR2 P34972 1/20 0.44
GLS O94925 2/20 0.44
KDM4A O75164 1/20 0.43

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
SCHEMBL4982670 0.86 NAAA (0.71) NAAAKDM4A
SCHEMBL88365 0.86 NAAA (0.71) NAAAKDM4A
SCHEMBL11501497 0.84 NAAA (0.49) NAAACNR1CNR2GLSKDM4A
SCHEMBL2843459 0.84 NAAA (0.68) NAAAKDM4A
SCHEMBL4985814 0.84 NAAA (0.68) NAAAKDM4A
Hydrochloric Acid SCHEMBL4933082 0.83 NAAA (0.67) NAAAKDM4A
Hydrochloric Acid SCHEMBL4933073 0.83 NAAA (0.67) NAAAKDM4A
SCHEMBL4986402 0.83 NAAA (0.61) NAAACNR1CNR2KDM4A
SCHEMBL13944848 0.82 NAAA (0.47) NAAACNR1CNR2GLSKDM4A
SCHEMBL23740245 0.80 CNR1 (0.47) NAAACNR1CNR2GLSKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN NAAA 2732/4885CNR1 1317/4885CCR3 3705/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 NAAA 2148/4885CNR1 974/4885CCR3 3737/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 NAAA 2148/4885CNR1 974/4885CCR3 3737/4885

“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.