SCHEMBL649673

SCHEMBL649673

CCCCC(=CN(C)C)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.58
CES1 P23141 6/20 0.58
EGFR P00533 2/20 0.45
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD17B3 P37058 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL1912788 1.00 CES2 (0.58) CES2CES1EGFRPTGS2ALDH1A1
SCHEMBL13729327 0.83 CES2 (0.53) CES2CES1EGFRALDH1A1LMNA
SCHEMBL2989494 0.79 CES2 (0.65) CES2CES1PTGS2ALDH1A1LMNA
SCHEMBL6969664 0.79 EGFR (0.45) CES2CES1EGFRALDH1A1LMNA
SCHEMBL1772976 0.76 ALDH1A1 (0.45) CES2CES1ALDH1A1TDP1KMT2A
SCHEMBL2354896 0.74 CES2 (0.72) CES2CES1PTGS2ALDH1A1LMNA
SCHEMBL7219046 0.74 CES1 (1.00) CES2CES1PTGS2ALDH1A1LMNA
SCHEMBL10497754 0.74 CES2 (0.67) CES2CES1EGFRLMNAL3MBTL1
Valerophenone SCHEMBL5615151 0.74 L3MBTL1 (0.72) CES2CES1PTGS2LMNARAB9A
Valerophenone SCHEMBL9725402 0.74 L3MBTL1 (0.72) CES2CES1PTGS2LMNARAB9A

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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 CES2 4777/4885CES1 3590/4885EGFR 344/4885

“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.