SCHEMBL4670327

SCHEMBL4670327

CCOC(=O)C=C(N)CCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
AOC2 O75106 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
FFAR1 O14842 2/20 0.40
POLB P06746 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SLC5A1 P13866 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
SCHEMBL31377881 1.00 CYP4F2 (0.44) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL4670326 1.00 CYP4F2 (0.44) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL5643255 0.85 TDP1 (0.45) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL34474882 0.82 AOC2 (0.40) HPGDAOC2MAOAMAOBAOC3
SCHEMBL5641733 0.79 FFAR1 (0.50) LMNAHPGDAOC2MAOAMAOB
SCHEMBL5641735 0.79 FFAR1 (0.50) LMNAHPGDAOC2MAOAMAOB
SCHEMBL5641729 0.79 FFAR1 (0.50) LMNAHPGDAOC2MAOAMAOB
SCHEMBL1936446 0.77 CYP4F2 (0.72) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL20028730 0.76 MAPT (0.47) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL30189419 0.76 MAPT (0.47) MAPTMEN1KMT2ACYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396936-B1 Modulators of calcitonin and amylin receptor activity KEMIA, INC. (US) 2008-07-08 US disclosed
US-20070088163-A1 Modulators of calcitonin and amylin activity KEMIA, INC. 2007-04-19 US disclosed
US-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2005025504-A2 MODULATORS OF CALCITONIN AND AMYLIN ACTIVITY KEMIA, INC. (US) 2005-03-24 WO disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 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 (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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB CYP4F2 2395/4885CYP4A11 1593/4885MAPT 3734/4885
US-20070088163-A1 Modulators of calcitonin and amylin activity CALCRL, CALCR, CALCA CYP4F2 4327/4885CYP4A11 3527/4885MAPT 1022/4885

“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.